SCHEMBL4746231

SCHEMBL4746231

CCOC(=O)C1CCCCN1Cc1ccc(OCCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)cc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
KDM4E B2RXH2 4/20 0.65
PPARG P37231 13/20 0.53
PPARA Q07869 12/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TSHR P16473 2/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PPARD Q03181 2/20 0.46

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
SCHEMBL4748206 0.93 KDM4E (0.54) ALDH1A1KDM4EPPARGPPARAPPARD
SCHEMBL4748204 0.93 KDM4E (0.54) ALDH1A1KDM4EPPARGPPARAPPARD
SCHEMBL4744029 0.92 PPARG (0.55) ALDH1A1KDM4EPPARGPPARA
SCHEMBL4744592 0.92 PPARG (0.55) ALDH1A1KDM4EPPARGPPARA
SCHEMBL4747026 0.91 PPARG (0.53) ALDH1A1KDM4EPPARGPPARASMN1; SMN2
SCHEMBL4747028 0.91 PPARG (0.53) ALDH1A1KDM4EPPARGPPARASMN1; SMN2
SCHEMBL4788193 0.91 PPARG (0.52) ALDH1A1KDM4EPPARGPPARAPPARD
SCHEMBL4788199 0.91 PPARG (0.52) ALDH1A1KDM4EPPARGPPARAPPARD
SCHEMBL4744028 0.89 PPARG (0.56) PPARGPPARAPPARD
SCHEMBL4748056 0.89 PPARG (0.56) PPARGPPARAPPARD

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