SCHEMBL4787429

SCHEMBL4787429

Cc1ccccc1-c1nc(CCOc2cccc(CN3CCCCC3C(=O)O)c2)c(C)o1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 5/20 0.57
PPARG P37231 12/20 0.55
PPARA Q07869 12/20 0.55
PDCD1 Q15116 4/20 0.53
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL4747748 1.00 CD274 (0.57) CD274PPARGPPARAPDCD1ALDH1A1
SCHEMBL4744716 0.95 PPARG (0.58) CD274PPARGPPARAALDH1A1
SCHEMBL4746655 0.91 CD274 (0.55) CD274PPARGPPARAPDCD1ALDH1A1
SCHEMBL4747524 0.91 PPARG (0.60) CD274PPARGPPARA
SCHEMBL4744276 0.90 CD274 (0.59) CD274PPARGPPARAPDCD1ALDH1A1
SCHEMBL4747144 0.88 PPARA (0.54) CD274PPARGPPARA
SCHEMBL4785953 0.87 CD274 (0.55) CD274PPARGPPARA
SCHEMBL4746305 0.87 PPARG (0.58) PPARGPPARA
SCHEMBL4746302 0.87 PPARG (0.58) PPARGPPARA
SCHEMBL4744569 0.86 KDM4E (0.52) CD274PPARGPPARAALDH1A1POLB

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-2008117982-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR INHIBITING LIPID ACCUMULATION CONTAINING SAME CRYSTAL GENOMICS, INC. (KR) 2008-10-02 WO disclosed