SCHEMBL9402877

SCHEMBL9402877

CCCCCCCCCCCCCCOc1ccc(OCc2ccccc2)c(C(=O)N(CC(=O)O)CC(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 7/20 0.50
▸ PLA2G4B P0C869 3/20 0.47
▸ PLA2G2A P14555 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ PPARG P37231 1/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ PLA2G2D Q9UNK4 1/20 0.43
▸ MAOB P27338 3/20 0.43

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
SCHEMBL9402646 1.00 PTPN11 (0.50) PTPN11PLA2G4BPLA2G2ABLMPPARG
SCHEMBL9402542 1.00 PTPN11 (0.50) PTPN11PLA2G4BPLA2G2ABLMPPARG
SCHEMBL9402565 0.95 PTPN11 (0.47) PTPN11PLA2G4BPLA2G2ABLMPLA2G2D
SCHEMBL9402789 0.93 PTPN11 (0.47) PTPN11PLA2G4BPLA2G2ABLM
SCHEMBL9402748 0.92 LTA4H (0.45) PLA2G4B
SCHEMBL9403064 0.92 PTPN11 (0.48) PTPN11PLA2G4BPLA2G2ABLMPPARG
SCHEMBL9402567 0.92 PTPN11 (0.50) PTPN11PLA2G4BPLA2G2ABLMPPARG
SCHEMBL9402699 0.91 PTPN11 (0.46) PTPN11PLA2G4BPLA2G2ABLMMAOB
SCHEMBL9403014 0.91 PTPN11 (0.46) PTPN11PLA2G4BPLA2G2ABLM
SCHEMBL9402550 0.91 PTPN11 (0.47) PTPN11PLA2G4BPLA2G2DMAOB

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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