SCHEMBL9167771

SCHEMBL9167771

CCCCCCCCCCCCCCCCCCOc1cc(OCc2ccccc2)cc(C(=O)O)c1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.76
KMT2A Q03164 2/20 0.73
MEN1 O00255 1/20 0.73
NR4A2 P43354 2/20 0.61
TP53 P04637 1/20 0.58
TSHR P16473 1/20 0.58
PLA2G4B P0C869 5/20 0.57
RARB P10826 3/20 0.55
NR4A1 P22736 1/20 0.54
NR4A3 Q92570 1/20 0.54
PLA2G4A P47712 1/20 0.52

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
SCHEMBL9324878 0.96 PLA2G2A (0.70) PLA2G2AKMT2AMEN1NR4A2TP53
SCHEMBL9325248 0.96 PLA2G2A (0.70) PLA2G2AKMT2AMEN1NR4A2TP53
SCHEMBL9325267 0.96 PLA2G2A (0.70) PLA2G2AKMT2AMEN1NR4A2TP53
SCHEMBL9325250 0.95 PLA2G2A (0.68) PLA2G2AKMT2AMEN1NR4A2PLA2G4B
SCHEMBL2651146 0.90 KMT2A (0.79) PLA2G2AKMT2AMEN1NR4A2TP53
SCHEMBL31007012 0.88 PLA2G2A (0.58) PLA2G2AKMT2AMEN1NR4A2
SCHEMBL9167382 0.88 PLA2G2A (0.58) PLA2G2AKMT2AMEN1NR4A2
SCHEMBL9325255 0.88 PLA2G2A (0.58) PLA2G2AKMT2AMEN1NR4A2PLA2G4B
SCHEMBL1776182 0.88 MEN1 (0.75) PLA2G2AKMT2AMEN1NR4A2TP53
SCHEMBL9170809 0.87 PLA2G2A (0.82) PLA2G2AKMT2ATP53TSHRPLA2G4B

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
US-5446189-A Diester intermediates for diacid enzyme inhibitor HOFFMANN-LA ROCHE INC. (US) 1995-08-29 US disclosed
US-5324747-A Treatment of inflammatory diseases HOFFMANN-LA ROCHE INC. (US) 1994-06-28 US disclosed
US-5298652-A N-substituted glycines, inhibitors of phospholipase A2 HOFFMANN-LA ROCHE INC. (US) 1994-03-29 US disclosed
EP-0579066-A2 N-substituted anilines F. HOFFMANN-LA ROCHE AG (CH) 1994-01-19 EP disclosed