SCHEMBL4727935

SCHEMBL4727935

CCC(=NOCCn1ccc2ccccc21)c1ccc(OC(CC)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.44
PPARA Q07869 7/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
TRPV1 Q8NER1 1/20 0.39
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 2/20 0.37
TP53 P04637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL4727934 1.00 PPARG (0.44) PPARGPPARASMN1; SMN2NPC1RAB9A
SCHEMBL4725557 0.82 TSHR (0.39) PPARGPPARASMN1; SMN2NPC1RAB9A
SCHEMBL4725558 0.82 TSHR (0.39) PPARGPPARASMN1; SMN2NPC1RAB9A
SCHEMBL4726366 0.81 HSD17B10 (0.39) PPARGPPARASMN1; SMN2NPC1RAB9A
SCHEMBL4726370 0.81 HSD17B10 (0.39) PPARGPPARASMN1; SMN2NPC1RAB9A
SCHEMBL4729074 0.80 HTT (0.40) PPARGPPARASMN1; SMN2NPC1RAB9A
SCHEMBL4729069 0.80 HTT (0.40) PPARGPPARASMN1; SMN2NPC1RAB9A
SCHEMBL15542659 0.76 POLB (0.48) SMN1; SMN2NPC1RAB9AMEN1ALDH1A1
SCHEMBL15542693 0.76 POLB (0.48) SMN1; SMN2NPC1RAB9AMEN1ALDH1A1
SCHEMBL15555089 0.75 ALDH1A1 (0.50) SMN1; SMN2NPC1ALDH1A1HTTTP53

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