SCHEMBL9402720

SCHEMBL9402720

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

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 2/20 0.69
▸ BLM P54132 1/20 0.58
▸ TP53 P04637 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ PLA2G4B P0C869 7/20 0.52
▸ RARB P10826 3/20 0.50
▸ PLA2G4A P47712 1/20 0.48
▸ KMT2A Q03164 1/20 0.46
▸ PTPN11 Q06124 1/20 0.45

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
SCHEMBL9402540 0.93 PLA2G2A (0.66) PLA2G2ABLMTP53TSHRPLA2G4B
SCHEMBL9402602 0.93 PLA2G2A (0.66) PLA2G2ABLMTP53TSHRPLA2G4B
SCHEMBL9402726 0.88 PLA2G2A (0.60) PLA2G2ABLMTP53TSHRPLA2G4B
SCHEMBL9402692 0.88 PLA2G2A (0.56) PLA2G2ABLMTP53TSHRPLA2G4B
SCHEMBL9402794 0.87 PLA2G2A (0.55) PLA2G2ABLMTP53TSHRPLA2G4B
SCHEMBL9402521 0.86 PLA2G2A (0.57) PLA2G2ABLMTP53TSHRPLA2G4B
SCHEMBL1768906 0.86 PLA2G2A (0.93) PLA2G2ATP53TSHRPLA2G4BRARB
SCHEMBL1768821 0.86 PLA2G2A (0.93) PLA2G2ATP53TSHRPLA2G4BRARB
SCHEMBL1820396 0.86 PLA2G2A (0.93) PLA2G2ATP53TSHRPLA2G4BRARB
SCHEMBL15955753 0.86 PLA2G2A (0.93) PLA2G2ATP53TSHRPLA2G4BRARB

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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