SCHEMBL28337237

SCHEMBL28337237

CC(C)CCCC(C)CCCC(C)C(Cl)C(=O)[O-].[Na+]

nearest known ligand 0.47

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 4/20 0.39
CA2 known ✓ P00918 3/20 0.33
BLM P54132 1/20 0.47
LMNA P02545 1/20 0.45
PTPN1 P18031 2/20 0.36
CYP3A4 P08684 2/20 0.35
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL27458546 0.81 BLM (0.60) BLMLMNACA1PTPN1CYP3A4
SCHEMBL28455451 0.81 BLM (0.60) BLMLMNACA1PTPN1CYP3A4
SCHEMBL28455377 0.80 BLM (0.58) BLMLMNAPTPN1CYP3A4MEN1
SCHEMBL10655950 0.75 BLM (0.50) BLMLMNACA1
SCHEMBL10656206 0.75 BLM (0.41) BLMLMNACA1PTPN1
SCHEMBL10655943 0.75 BLM (0.50) BLMLMNACA1
SCHEMBL28334893 0.72 LMNA (0.62) BLMLMNAPTPN1CYP3A4MEN1
SCHEMBL2828866 0.70 BLM (0.59) BLMLMNACA1PTPN1CYP3A4
SCHEMBL27415466 0.70 BLM (0.72) BLMLMNACA1PTPN1CYP3A4
Acetic Acid SCHEMBL20972332 0.69 BLM (0.71) BLMLMNACA1PTPN1CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110317289-B Polyacrylamide nano-microsphere profile control agent for oilfield chemical oil extraction 大庆紫源石油科技开发有限公司 2020-09-01 CN disclosed
CN-110317289-A A kind of oilfield chemistry oil recovery polyacrylamide nano microballoon profile control agent 大庆紫源石油科技开发有限公司 2019-10-11 CN disclosed