SCHEMBL9323980

SCHEMBL9323980

CCCCCCCCCCCCCCCCCCOc1cc(OCCOc2ccc3ccccc3c2)cc(C(=O)O)c1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.72
PLA2G4B P0C869 5/20 0.60
TP53 P04637 1/20 0.59
TSHR P16473 1/20 0.59
RARB P10826 3/20 0.56
PTPN11 Q06124 2/20 0.55
KMT2A Q03164 1/20 0.55
PLA2G4A P47712 1/20 0.53

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
SCHEMBL9170809 0.85 PLA2G2A (0.82) PLA2G2APLA2G4BTP53TSHRRARB
SCHEMBL9324895 0.85 PLA2G2A (0.51) PLA2G2APLA2G4BTP53TSHRPTPN11
SCHEMBL7283625 0.85 TP53 (0.77) PLA2G2APLA2G4BTP53TSHRRARB
SCHEMBL7281514 0.85 TP53 (0.77) PLA2G2APLA2G4BTP53TSHRRARB
SCHEMBL7278960 0.85 TP53 (0.77) PLA2G2APLA2G4BTP53TSHRRARB
SCHEMBL5383674 0.85 TP53 (0.77) PLA2G2APLA2G4BTP53TSHRRARB
SCHEMBL5388136 0.85 TP53 (0.77) PLA2G2APLA2G4BTP53TSHRRARB
SCHEMBL14672324 0.85 TP53 (0.77) PLA2G2APLA2G4BTP53TSHRRARB
SCHEMBL9779326 0.85 TP53 (0.77) PLA2G2APLA2G4BTP53TSHRRARB
SCHEMBL7271669 0.85 TP53 (0.77) 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 3 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 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