SCHEMBL4747925

SCHEMBL4747925

O=C(O)C1CCCCN1Cc1cccc(OCCc2coc(-c3ccccc3)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 16/20 0.56
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
POLB P06746 1/20 0.49
PDCD1 Q15116 9/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SPHK1 Q9NYA1 1/20 0.44

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
SCHEMBL4748386 0.97 CD274 (0.53) CD274PPARGPPARAPOLBPDCD1
SCHEMBL4748382 0.97 CD274 (0.53) CD274PPARGPPARAPOLBPDCD1
SCHEMBL4745017 0.91 CD274 (0.62) CD274PPARAPOLBPDCD1MEN1
SCHEMBL4746750 0.91 CD274 (0.50) CD274PPARGPPARAPOLBPDCD1
SCHEMBL4746755 0.91 CD274 (0.50) CD274PPARGPPARAPOLBPDCD1
SCHEMBL4744385 0.91 CD274 (0.54) CD274PPARGPPARAPDCD1
SCHEMBL4744265 0.89 CD274 (0.59) CD274PPARGPPARAPOLBPDCD1
SCHEMBL4744260 0.89 CD274 (0.59) CD274PPARGPPARAPOLBPDCD1
SCHEMBL4748001 0.88 CD274 (0.50) CD274PPARGPPARAPDCD1SPHK1
SCHEMBL4748002 0.88 CD274 (0.50) CD274PPARGPPARAPDCD1SPHK1

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 2 patents. 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 claimed
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