SCHEMBL11244441

SCHEMBL11244441

COc1ccc(CCCCC(=O)C(=O)[O-])cc1.[Na+]

nearest known ligand 0.61

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 11)

geneUniProtsupporting neighboursconfidence
ALOX5 known ✓ P09917 1/20 0.56
IGF1R P08069 1/20 0.55
ALOX15 P16050 1/20 0.55
F2RL1 P55085 1/20 0.54
PLAAT3 P53816 1/20 0.53
PLAAT5 Q96KN8 1/20 0.53
PLAAT2 Q9NWW9 1/20 0.53
PLAAT4 Q9UL19 1/20 0.53
CALM1 P0DP23 1/20 0.53
POLB P06746 1/20 0.51
LTB4R Q15722 1/20 0.49

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
SCHEMBL11042261 0.85 PLAAT3 (0.58) ALOX5IGF1RALOX15F2RL1PLAAT3
SCHEMBL11037985 0.84 PLAAT3 (0.57) ALOX5IGF1RALOX15F2RL1PLAAT3
SCHEMBL11244446 0.84 PLAAT3 (0.57) ALOX5IGF1RALOX15F2RL1PLAAT3
SCHEMBL10708823 0.83 ALOX5 (0.55) ALOX5IGF1RALOX15F2RL1PLAAT3
SCHEMBL1171967 0.81 LTB4R (0.67) ALOX5F2RL1CALM1LTB4R
SCHEMBL13498520 0.81 ALOX5 (0.61) ALOX5IGF1RALOX15F2RL1CALM1
SCHEMBL20019549 0.81 ALOX5 (0.61) ALOX5IGF1RALOX15F2RL1CALM1
SCHEMBL9663959 0.80 LTB4R (0.69) ALOX5F2RL1CALM1LTB4R
SCHEMBL11830150 0.80 ALOX5 (0.59) ALOX5IGF1RALOX15F2RL1CALM1
SCHEMBL933946 0.80 ALOX5 (0.59) ALOX5IGF1RALOX15F2RL1CALM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4334089-A HYPOGLYCEMIC AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT (DE) 1982-06-08 US disclosed