SCHEMBL9402533

SCHEMBL9402533

CCCCCCCCCCOc1ccc(OCCCCCCCCCC)c(C(=O)N(CC(=O)O)CC(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ PTPN11 Q06124 8/20 0.51
▸ PLA2G4B P0C869 2/20 0.48
▸ PTPN1 P18031 1/20 0.48
▸ PTPN6 P29350 1/20 0.48
▸ S1PR3 Q99500 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ CYSLTR2 Q9NS75 1/20 0.47
▸ CYSLTR1 Q9Y271 1/20 0.47
▸ THRA P10827 1/20 0.46
▸ THRB P10828 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
SCHEMBL9402707 1.00 PLA2G2A (0.52) PLA2G2ABLMPTPN11PLA2G4BPTPN1
SCHEMBL9402567 0.92 PTPN11 (0.50) PLA2G2ABLMPTPN11PLA2G4BPTPN1
SCHEMBL9402542 0.90 PTPN11 (0.50) PLA2G2ABLMPTPN11PLA2G4B
SCHEMBL9402877 0.90 PTPN11 (0.50) PLA2G2ABLMPTPN11PLA2G4B
SCHEMBL9402646 0.90 PTPN11 (0.50) PLA2G2ABLMPTPN11PLA2G4B
SCHEMBL9402565 0.89 PTPN11 (0.47) PLA2G2ABLMPTPN11PLA2G4BPTPN1
SCHEMBL9402789 0.89 PTPN11 (0.47) PLA2G2ABLMPTPN11PLA2G4BPTPN1
SCHEMBL9402665 0.88 PLA2G2A (0.52) PLA2G2ABLMPTPN11PLA2G4BTP53
SCHEMBL9402699 0.87 PTPN11 (0.46) PLA2G2ABLMPTPN11PLA2G4BPTPN1
SCHEMBL9403014 0.87 PTPN11 (0.46) PLA2G2ABLMPTPN11PLA2G4BPTPN1

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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