SCHEMBL4744562

SCHEMBL4744562

COC(=O)C1CCCN1Cc1ccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
PPARG P37231 7/20 0.49
PPARA Q07869 6/20 0.49
KMT2A Q03164 2/20 0.45
PPARD Q03181 3/20 0.45
CYP2C9 P11712 1/20 0.45
KCNH2 Q12809 1/20 0.45
SPHK2 Q9NRA0 1/20 0.45
SPHK1 Q9NYA1 1/20 0.45
FFAR1 O14842 1/20 0.45
MAPT P10636 1/20 0.44
PTPN1 P18031 1/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL4788139 1.00 ALDH1A1 (0.51) ALDH1A1KDM4EPPARGPPARAKMT2A
SCHEMBL4744558 1.00 ALDH1A1 (0.51) ALDH1A1KDM4EPPARGPPARAKMT2A
SCHEMBL4747043 0.95 PPARG (0.50) ALDH1A1KDM4EPPARGPPARAPPARD
SCHEMBL4747044 0.95 PPARG (0.50) ALDH1A1KDM4EPPARGPPARAPPARD
SCHEMBL4788193 0.93 PPARG (0.52) ALDH1A1KDM4EPPARGPPARAPPARD
SCHEMBL4788199 0.93 PPARG (0.52) ALDH1A1KDM4EPPARGPPARAPPARD
SCHEMBL4746574 0.92 ALDH1A1 (0.49) ALDH1A1KDM4EPPARGPPARAKMT2A
SCHEMBL4748235 0.92 ALDH1A1 (0.49) ALDH1A1KDM4EPPARGPPARAKMT2A
SCHEMBL4748026 0.92 ALDH1A1 (0.49) ALDH1A1KDM4EPPARGPPARAKMT2A
SCHEMBL4748101 0.91 PPARG (0.53) ALDH1A1KDM4EPPARGPPARAKMT2A

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