SCHEMBL4744276

SCHEMBL4744276

Cc1ccccc1-c1nc(COc2cccc(CN3CCC[C@H]3C(=O)O)c2)c(C)o1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 14/20 0.59
POLB P06746 1/20 0.53
ALDH1A1 P00352 1/20 0.51
PDCD1 Q15116 4/20 0.51
SPHK1 Q9NYA1 1/20 0.49
KDR P35968 1/20 0.49
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47

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
SCHEMBL4744012 0.91 CD274 (0.61) CD274POLBPDCD1SPHK1KDR
SCHEMBL4744628 0.91 CD274 (0.61) CD274POLBPDCD1SPHK1KDR
SCHEMBL4787429 0.90 CD274 (0.57) CD274POLBALDH1A1PDCD1PPARG
SCHEMBL4747748 0.90 CD274 (0.57) CD274POLBALDH1A1PDCD1PPARG
SCHEMBL4743664 0.89 CD274 (0.60) CD274POLBPDCD1SPHK1KDR
SCHEMBL4746619 0.89 CD274 (0.60) CD274POLBPDCD1SPHK1KDR
SCHEMBL4744716 0.88 PPARG (0.58) CD274ALDH1A1PPARGPPARA
SCHEMBL4744001 0.88 CD274 (0.65) CD274POLBPDCD1KDRPPARG
SCHEMBL4743927 0.88 CD274 (0.65) CD274POLBPDCD1KDRPPARG
SCHEMBL4746653 0.88 CD274 (0.60) CD274ALDH1A1PDCD1

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