SCHEMBL9268582

SCHEMBL9268582

CCCCCCCCCCCCCCCCCC(=O)c1c(OC(=O)O)n(Cc2ccccc2)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.53
GSK3B P49841 1/20 0.52

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
SCHEMBL9269673 0.94 CNR2 (0.53) PLA2G2A
SCHEMBL9273557 0.94 PLA2G2A (0.52) PLA2G2AGSK3B
SCHEMBL9266169 0.94 CNR2 (0.53) PLA2G2A
SCHEMBL7207533 0.92 PLA2G2A (0.55) PLA2G2A
SCHEMBL9268494 0.92 CNR2 (0.55) PLA2G2A
SCHEMBL9272794 0.91 PLA2G2A (0.47) PLA2G2A
SCHEMBL9270156 0.90 PLA2G2A (0.48) PLA2G2A
SCHEMBL9264177 0.90 PLA2G2A (0.58) PLA2G2A
SCHEMBL9267160 0.90 PLA2G2A (0.58) PLA2G2A
SCHEMBL9263602 0.90 PLA2G2A (0.58) PLA2G2A

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
WO-1995013266-A1 ACYLPYRROLE-ALKANOIC ACIDS AND INDOLE-2-ALKANOIC ACIDS PLUS THEIR DERIVATIVES FOR USE AS INHIBITORS OF PHOSPHOLIPASE A¿2? MERCKLE GMBH CHEM.-PHARM. FABRIK (DE) 1995-05-18 WO disclosed