SCHEMBL9324552

SCHEMBL9324552

CCCCCCCCCCCCCCCCCCOc1cc(OCCCCCCc2cccc(O)c2O)cc(C(=O)O)c1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.65
BID P55957 3/20 0.54
MCL1 Q07820 3/20 0.54
BCL2L1 Q07817 2/20 0.54
BAK1 Q16611 2/20 0.54
KAT8 Q9H7Z6 2/20 0.54
PPARG P37231 1/20 0.54
PPARA Q07869 1/20 0.54
EP300 Q09472 1/20 0.54
KAT2A Q92830 1/20 0.54
KAT2B Q92831 1/20 0.54
KAT5 Q92993 1/20 0.54
SAE1 Q9UBE0 1/20 0.54
PLA2G4B P0C869 1/20 0.53
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL9325227 1.00 PLA2G2A (0.65) PLA2G2ABIDMCL1BCL2L1BAK1
SCHEMBL9325294 1.00 PLA2G2A (0.65) PLA2G2ABIDMCL1BCL2L1BAK1
SCHEMBL9323942 1.00 PLA2G2A (0.65) PLA2G2ABIDMCL1BCL2L1BAK1
SCHEMBL9325513 1.00 PLA2G2A (0.65) PLA2G2ABIDMCL1BCL2L1BAK1
SCHEMBL9323696 1.00 PLA2G2A (0.65) PLA2G2ABIDMCL1BCL2L1BAK1
SCHEMBL9326084 1.00 PLA2G2A (0.65) PLA2G2ABIDMCL1BCL2L1BAK1
SCHEMBL9325773 1.00 PLA2G2A (0.65) PLA2G2ABIDMCL1BCL2L1BAK1
SCHEMBL9325746 0.98 PLA2G2A (0.65) PLA2G2ABIDMCL1BCL2L1BAK1
SCHEMBL9326059 0.89 PLA2G2A (0.49) PLA2G2ABIDMCL1BCL2L1BAK1
SCHEMBL9324833 0.89 PLA2G2A (0.49) PLA2G2ABIDMCL1BCL2L1BAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5374772-A Skin disorders, antiinflammatory agents, cardiovascular disorders HOFFMANN-LAROCHE INC. (US) 1994-12-20 US claimed
EP-0601385-A1 Disubstituted benzoic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1994-06-15 EP claimed
JP-6211743-A None JP disclosed
US-5374772-A Skin disorders, antiinflammatory agents, cardiovascular disorders HOFFMANN-LAROCHE INC. (US) 1994-12-20 US disclosed
JP-H06211743-A SUBSTITUTED BENZOIC ACID F HOFFMANN LA ROCHE AG 1994-08-02 JP disclosed
EP-0601385-A1 Disubstituted benzoic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1994-06-15 EP disclosed