SCHEMBL3882487

SCHEMBL3882487

CCC(Cc1ccc(OCC2CCCC2)c(-c2ccc3nc(NC)sc3c2)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 10/20 0.42
PDE4B Q07343 9/20 0.41
PPARG P37231 1/20 0.39
PDE4D Q08499 1/20 0.37

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
SCHEMBL3888367 0.90 PDE4B (0.44) ABL1PDE4BPPARG
SCHEMBL3884992 0.89 PPARG (0.40) ABL1PPARG
SCHEMBL3894944 0.87 PPARG (0.39) ABL1PDE4BPPARG
SCHEMBL3883783 0.85 S1PR1 (0.46) ABL1PDE4B
SCHEMBL3882136 0.84 PPARG (0.41) PDE4BPPARGPDE4D
SCHEMBL3882489 0.82 ABL1 (0.44) ABL1PDE4B
SCHEMBL3884528 0.79 PPARG (0.46) PPARG
SCHEMBL3884648 0.78 PPARG (0.41) PPARG
SCHEMBL3884291 0.78 CYP1A2 (0.40)
SCHEMBL3883672 0.77 PPARG (0.44) PPARG

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
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP claimed