SCHEMBL4747971

SCHEMBL4747971

O=C(O)[C@H]1CCCN1Cc1ccc(OCc2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.47
SPHK2 Q9NRA0 3/20 0.47
SPHK1 Q9NYA1 2/20 0.47
FFAR1 O14842 1/20 0.46
PPARG P37231 5/20 0.46
PPARA Q07869 5/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CD274 Q9NZQ7 2/20 0.46
PDCD1 Q15116 1/20 0.46
SCN9A Q15858 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
SCN3A Q9NY46 1/20 0.43
SLC6A5 Q9Y345 1/20 0.43
ALOX5AP P20292 2/20 0.42

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
SCHEMBL4747069 1.00 HRH3 (0.47) HRH3SPHK2SPHK1FFAR1PPARG
SCHEMBL4747149 0.97 KDM4E (0.49) HRH3SPHK2SPHK1FFAR1PPARG
SCHEMBL4744017 0.92 PPARG (0.53) HRH3SPHK2SPHK1FFAR1PPARG
SCHEMBL4746266 0.92 PPARG (0.53) HRH3SPHK2SPHK1FFAR1PPARG
SCHEMBL4748393 0.91 KDM4E (0.50) HRH3SPHK2SPHK1FFAR1PPARG
SCHEMBL4743974 0.90 PPARA (0.57) SPHK2SPHK1PPARGPPARAALDH1A1
SCHEMBL4743964 0.90 PPARA (0.57) SPHK2SPHK1PPARGPPARAALDH1A1
SCHEMBL4744672 0.89 FFAR1 (0.58) SPHK1FFAR1PPARGPPARACD274
SCHEMBL4744667 0.89 FFAR1 (0.58) SPHK1FFAR1PPARGPPARACD274
SCHEMBL4744142 0.89 PPARG (0.52) HRH3SPHK2SPHK1FFAR1PPARG

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