Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Benzoyl Chloride. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B known ✓ | P49841 | 1/20 | 0.50 |
| ▸ | PARP1 known ✓ | P09874 | 1/20 | 0.50 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.48 |
| ▸ | HDAC3 known ✓ | O15379 | 1/20 | 0.46 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC7 known ✓ | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 6/20 | 0.55 |
| ▸ | CES2 | O00748 | 6/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | DAO | P14920 | 1/20 | 0.55 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Benzoyl Chloride SCHEMBL27936637 | 1.00 | CES1 (0.55) | CES1CES2ALDH1A1TSHRDAO | |
| Benzoyl Chloride SCHEMBL1773097 | 1.00 | CES1 (0.55) | CES1CES2ALDH1A1TSHRDAO | |
| Benzoyl Chloride SCHEMBL9876625 | 0.97 | CES1 (0.52) | CES1CES2ALDH1A1TSHRDAO | |
| Benzoyl Chloride SCHEMBL8995857 | 0.97 | CES1 (0.58) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL19185622 | 0.97 | CES1 (0.58) | CES1CES2ALDH1A1TSHRDAO | |
| Benzoyl Chloride SCHEMBL1241 | 0.97 | — | — | |
| Benzoyl Chloride SCHEMBL14359354 | 0.97 | CES1 (0.58) | CES1CES2ALDH1A1TSHRDAO | |
| Benzoyl Chloride SCHEMBL1331834 | 0.97 | — | — | |
| Benzoyl Chloride SCHEMBL4973993 | 0.94 | CES1 (0.55) | CES1CES2ALDH1A1TSHRDAO | |
| Benzoyl Chloride SCHEMBL8418389 | 0.94 | CES1 (0.55) | CES1CES2ALDH1A1TSHRDAO |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105899284-A | high-swelling composite polyamide membrane | 陶氏环球技术有限责任公司 | 2016-08-24 | — | — | CN | disclosed |
| CN-105899283-A | Composite polyamide membrane with azo content and high acid content | 陶氏环球技术有限责任公司 | 2016-08-24 | — | — | CN | disclosed |
| EP-2552898-A1 | METHOD FOR PREPARING 3-KETO-BENZOFURANE DERIVATIVES | SANOFI (FR) | 2013-02-06 | — | — | EP | disclosed |
| WO-2011131881-A1 | METHOD FOR PREPARING 3-KETO-BENZOFURANE DERIVATIVES | SANOFI-AVENTIS (FR) | 2011-10-27 | — | — | WO | disclosed |
| CN-101717393-A | Derivate of cyclohexyl 2, 5-2 substituted phenyl ether and application thereof | YIJUN CHEN | 2010-06-02 | — | — | CN | disclosed |
| CN-100363348-C | PgD2 receptor antagonists for the treatment of inflammatory diseases | MILLENNIUM PHARM INC (US) | 2008-01-23 | — | — | CN | disclosed |
| CN-1720047-A | PgD2 receptor antagonists for the treatment of inflammatory diseases | MILLENNIUM PHARM INC (US) | 2006-01-11 | — | — | CN | disclosed |