SCHEMBL9510487

SCHEMBL9510487

CCCc1cc(C(=O)O)cc(CCC)c1OCCCCCCc1cccc(O)c1O

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BID P55957 3/20 0.48
MCL1 Q07820 3/20 0.48
BCL2L1 Q07817 2/20 0.48
BAK1 Q16611 2/20 0.48
KAT8 Q9H7Z6 2/20 0.48
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
EP300 Q09472 1/20 0.48
KAT2A Q92830 1/20 0.48
KAT2B Q92831 1/20 0.48
KAT5 Q92993 1/20 0.48
SAE1 Q9UBE0 1/20 0.48
LTB4R Q15722 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
IAPP P10997 1/20 0.45

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
SCHEMBL9508029 0.87 LTB4R (0.57) BIDMCL1BCL2L1BAK1LTB4R
SCHEMBL9506757 0.84 PPARG (0.47) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL9325773 0.84 PLA2G2A (0.65) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL9324552 0.84 PLA2G2A (0.65) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL9323696 0.84 PLA2G2A (0.65) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL9325227 0.84 PLA2G2A (0.65) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL9325513 0.84 PLA2G2A (0.65) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL9323942 0.84 PLA2G2A (0.65) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL9325294 0.84 PLA2G2A (0.65) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL9326084 0.84 PLA2G2A (0.65) BIDMCL1BCL2L1BAK1KAT8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0310126-B1 DERIVATIVES OF PYROCATECHOL-CARBOXYLIC ACID, THEIR PREPARATION AND USE AS ACTIVE INGREDIENTS IN MEDICINES F. HOFFMANN-LA ROCHE AG (CH) 1993-08-18 EP disclosed
US-5191108-A Lipoxygenase inhibitors, antiinflammatory agents HOFFMANN-LA ROCHE INC. (US) 1993-03-02 US disclosed
US-5025036-A Antiinflammatory agents, gastrointestinal, cardiovascular and skin disorders HOFFMANN-LA ROCHE INC. (US) 1991-06-18 US disclosed
EP-0310126-A2 Derivatives of pyrocatechol-carboxylic acid, their preparation and use as active ingredients in medicines F. HOFFMANN-LA ROCHE AG (CH) 1989-04-05 EP disclosed