Chalcone

Chalcone

SCHEMBL7861207

O.O=C(C=Cc1ccccc1)c1ccccc1.O=C(C=Cc1ccccc1)c1ccccc1

nearest known ligand 0.96

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

The experimentally established mechanism targets of Chalcone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.96
MEN1 known ✓ O00255 2/20 0.75
HDAC3 known ✓ O15379 2/20 0.70
HDAC4 known ✓ P56524 2/20 0.70
HDAC1 known ✓ Q13547 2/20 0.70
HDAC7 known ✓ Q8WUI4 2/20 0.70
HDAC2 known ✓ Q92769 2/20 0.70
HDAC10 known ✓ Q969S8 2/20 0.70
HDAC11 known ✓ Q96DB2 2/20 0.70
HDAC8 known ✓ Q9BY41 2/20 0.70
HDAC6 known ✓ Q9UBN7 2/20 0.70
HDAC9 known ✓ Q9UKV0 2/20 0.70
HDAC5 known ✓ Q9UQL6 2/20 0.70
CYP1B1 Q16678 10/20 0.96
MAPT P10636 6/20 0.96
MAOB P27338 6/20 0.96
LMNA P02545 2/20 0.96
BCHE P06276 2/20 0.96
TNFRSF1A P19438 2/20 0.96
PLIN1 O60240 1/20 0.96

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.

Compoundsimilaritytop predictedshared targets
Chalcone SCHEMBL27827950 1.00 CYP1B1 (0.96) CYP1B1MAPTMAOBLMNABCHE
Chalcone SCHEMBL27391389 1.00 CYP1B1 (0.96) CYP1B1MAPTMAOBLMNABCHE
Chalcone SCHEMBL2404758 0.98 CYP1B1 (1.00) CYP1B1MAPTMAOBLMNABCHE
Chalcone SCHEMBL27580 0.98 CYP1B1 (1.00) CYP1B1MAPTMAOBLMNABCHE
Chalcone SCHEMBL28306720 0.98 CYP1B1 (1.00) CYP1B1MAPTMAOBLMNABCHE
Chalcone SCHEMBL27581 0.98 CYP1B1 (1.00) CYP1B1MAPTMAOBLMNABCHE
Chalcone SCHEMBL29922932 0.98 CYP1B1 (1.00) CYP1B1MAPTMAOBLMNABCHE
Chalcone SCHEMBL454583 0.98 CYP1B1 (1.00) CYP1B1MAPTMAOBLMNABCHE
Chalcone SCHEMBL29396001 0.98 CYP1B1 (1.00) CYP1B1MAPTMAOBLMNABCHE
Chalcone SCHEMBL2427445 0.96 CYP1B1 (0.96) CYP1B1MAPTMAOBLMNABCHE

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-52078857-A None JP disclosed
JP-52078857-A None JP disclosed
JP-52078858-A None JP disclosed
JP-52078858-A None JP disclosed
JP-52078856-A None JP disclosed
JP-52078856-A None JP disclosed
JP-2001122739-A HAIR TONIC SHISEIDO CO LTD 2001-05-08 JP disclosed
US-4085135-A ANTIULCER TAISHO PHARMACEUTICAL CO., LTD. (JA) 1978-04-18 US disclosed
JP-S5278856-A PREPARATION OF CHALCONE ETHERS TAISHO PHARMACEUT CO LTD 1977-07-02 JP disclosed
JP-S5278858-A PREPARATION OF CHALCONE ETHERS TAISHO PHARMACEUT CO LTD 1977-07-02 JP disclosed
JP-S5278856-A PREPARATION OF CHALCONE ETHERS TAISHO PHARMACEUT CO LTD 1977-07-02 JP disclosed
JP-S5278858-A PREPARATION OF CHALCONE ETHERS TAISHO PHARMACEUT CO LTD 1977-07-02 JP disclosed
US-3928421-A Anti-gastric ulcer chalcone ethers TAISHO PHARMACEUTICAL CO LTD 1975-12-23 US disclosed
US-3928421-A Anti-gastric ulcer chalcone ethers TAISHO PHARMACEUTICAL CO LTD 1975-12-23 US disclosed
JP-S05278857-A 0001-01-01 JP disclosed
JP-S05278857-A 0001-01-01 JP disclosed
JP-S05278858-A 0001-01-01 JP disclosed
JP-S05278858-A 0001-01-01 JP disclosed
JP-S05278856-A 0001-01-01 JP disclosed
JP-S05278856-A 0001-01-01 JP disclosed