SCHEMBL9170809

SCHEMBL9170809

CCCCCCCCCCCCCCCCCCOc1cc(OCCCOc2ccccc2)cc(C(=O)O)c1

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.82
PLA2G4B P0C869 8/20 0.70
TP53 P04637 1/20 0.68
TSHR P16473 1/20 0.68
RARB P10826 3/20 0.62
KMT2A Q03164 1/20 0.61
PLA2G4A P47712 1/20 0.59
NR1H4 Q96RI1 1/20 0.57
SMPD1 P17405 1/20 0.57

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
SCHEMBL9326057 0.92 PLA2G2A (0.74) PLA2G2APLA2G4BTP53TSHRRARB
SCHEMBL1568649 0.91 PLA2G2A (1.00) PLA2G2APLA2G4BTP53TSHRRARB
SCHEMBL11050536 0.91 PLA2G2A (1.00) PLA2G2APLA2G4BTP53TSHRRARB
SCHEMBL9171240 0.91 PLA2G2A (1.00) PLA2G2APLA2G4BTP53TSHRRARB
SCHEMBL31661147 0.91 PLA2G2A (1.00) PLA2G2APLA2G4BTP53TSHRRARB
SCHEMBL25327655 0.91 PLA2G2A (1.00) PLA2G2APLA2G4BTP53TSHRRARB
SCHEMBL3905253 0.91 PLA2G2A (1.00) PLA2G2APLA2G4BTP53TSHRRARB
SCHEMBL13836893 0.91 PLA2G2A (1.00) PLA2G2APLA2G4BTP53TSHRRARB
SCHEMBL15731864 0.91 PLA2G2A (1.00) PLA2G2APLA2G4BTP53TSHRRARB
SCHEMBL26455385 0.91 PLA2G2A (1.00) PLA2G2APLA2G4BTP53TSHRRARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0601385-A1 Disubstituted benzoic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1994-06-15 EP claimed
US-5446189-A Diester intermediates for diacid enzyme inhibitor HOFFMANN-LA ROCHE INC. (US) 1995-08-29 US disclosed
US-5374772-A Skin disorders, antiinflammatory agents, cardiovascular disorders HOFFMANN-LAROCHE INC. (US) 1994-12-20 US disclosed
US-5324747-A Treatment of inflammatory diseases HOFFMANN-LA ROCHE INC. (US) 1994-06-28 US disclosed
EP-0601385-A1 Disubstituted benzoic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1994-06-15 EP 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