SCHEMBL9402726

SCHEMBL9402726

CCCCCCCCCCCCCCCCCCOc1cc(OCC(=O)O)cc(C(=O)N(CC(=O)O)CC(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 2/20 0.60
▸ BLM P54132 1/20 0.60
▸ PLA2G4B P0C869 11/20 0.55
▸ PPARG P37231 1/20 0.48
▸ PPARA Q07869 1/20 0.48
▸ PLA2G4A P47712 1/20 0.47
▸ TSHR P16473 2/20 0.46
▸ TP53 P04637 1/20 0.46

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
SCHEMBL9402602 0.95 PLA2G2A (0.66) PLA2G2ABLMPLA2G4BPLA2G4ATSHR
SCHEMBL9402540 0.95 PLA2G2A (0.66) PLA2G2ABLMPLA2G4BPLA2G4ATSHR
SCHEMBL9402720 0.88 PLA2G2A (0.69) PLA2G2ABLMPLA2G4BPLA2G4ATSHR
SCHEMBL9402521 0.88 PLA2G2A (0.57) PLA2G2ABLMPLA2G4BTSHRTP53
SCHEMBL9402692 0.87 PLA2G2A (0.56) PLA2G2ABLMPLA2G4BTSHRTP53
SCHEMBL9402564 0.86 PLA2G2A (0.56) PLA2G2ABLMPLA2G4BTSHRTP53
SCHEMBL9402794 0.86 PLA2G2A (0.55) PLA2G2ABLMPLA2G4BPLA2G4ATSHR
SCHEMBL9402638 0.85 PLA2G2A (0.55) PLA2G2ABLMPLA2G4BPPARGPPARA
SCHEMBL9402764 0.84 PLA2G2A (0.54) PLA2G2ABLMPLA2G4B
SCHEMBL9402818 0.83 PLA2G2A (0.53) PLA2G2ABLMPLA2G4BTSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5298652-A N-substituted glycines, inhibitors of phospholipase A2 HOFFMANN-LA ROCHE INC. (US) 1994-03-29 — — US disclosed
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