SCHEMBL4726495

SCHEMBL4726495

C/C(=N\OCc1ccc(C(F)(F)F)cc1)c1ccc(CC(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.66
PPARG P37231 3/20 0.54
PPARA Q07869 3/20 0.54
MAOB P27338 1/20 0.50
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
PPARD Q03181 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
S1PR3 Q99500 2/20 0.46
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45

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
SCHEMBL4836198 0.88 NR1H4 (0.54) S1PR1PPARGPPARARXRARXRB
SCHEMBL4836204 0.88 NR1H4 (0.54) S1PR1PPARGPPARARXRARXRB
SCHEMBL3419327 0.87 S1PR1 (0.63) S1PR1PPARGPPARARXRARXRB
SCHEMBL3419326 0.87 S1PR1 (0.63) S1PR1PPARGPPARARXRARXRB
SCHEMBL16914904 0.85 S1PR1 (0.61) S1PR1PPARGPPARAMAOBPPARD
SCHEMBL17601795 0.85 S1PR1 (0.61) S1PR1PPARGPPARAMAOBPPARD
SCHEMBL17601803 0.85 S1PR1 (0.60) S1PR1PPARGPPARAMAOBNPC1
SCHEMBL17601801 0.85 S1PR1 (0.60) S1PR1PPARGPPARAMAOBNPC1
SCHEMBL16269783 0.81 MAOB (0.60) S1PR1PPARGPPARAMAOBPPARD
SCHEMBL16269498 0.81 MAOB (0.60) S1PR1PPARGPPARAMAOBPPARD

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-2008035359-A2 OXIMINOPHENOXYALKANOIC ACID AND PHENYLALKANOIC ACID DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2008-03-27 WO claimed
WO-2008035359-A2 OXIMINOPHENOXYALKANOIC ACID AND PHENYLALKANOIC ACID DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2008-03-27 WO disclosed