SCHEMBL9402584

SCHEMBL9402584

CCCCCCCCCCCCCCCCCCOc1cccc(CC(=O)N(CC(=O)O)CC(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4B P0C869 3/20 0.64
▸ PPARA Q07869 3/20 0.58
▸ PPARG P37231 2/20 0.58
▸ CYP2D6 P10635 3/20 0.55
▸ PTPN11 Q06124 1/20 0.54
▸ GGPS1 O95749 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ PLA2G2A P14555 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ CYSLTR2 Q9NS75 3/20 0.51
▸ CYSLTR1 Q9Y271 3/20 0.51

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
SCHEMBL9402605 0.88 PLA2G4B (0.56) PLA2G4BPPARAPPARGCYP2D6GGPS1
SCHEMBL9164631 0.86 PLA2G4B (0.83) PLA2G4BPPARAPPARGPTPN11GGPS1
SCHEMBL9717034 0.86 PLA2G4B (0.83) PLA2G4BPPARAPPARGPTPN11GGPS1
SCHEMBL9402559 0.86 PLA2G4B (0.83) PLA2G4BPPARAPPARGPTPN11GGPS1
SCHEMBL31473502 0.86 PLA2G4B (0.83) PLA2G4BPPARAPPARGPTPN11GGPS1
SCHEMBL1195580 0.84 PLA2G4B (0.81) PLA2G4BPPARAPPARGCYP2D6PTPN11
SCHEMBL5432048 0.80 PLA2G4B (0.78) PLA2G4BPPARAPPARGCYP2D6PTPN11
SCHEMBL9402724 0.80 SMPD1 (0.61) PLA2G4BPPARAPPARGPTPN11PLA2G2A
SCHEMBL9402624 0.80 SMPD1 (0.61) PLA2G4BPPARAPPARGPTPN11PLA2G2A
SCHEMBL9402604 0.80 SMPD1 (0.61) PLA2G4BPPARAPPARGPTPN11PLA2G2A

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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