SCHEMBL4729074

SCHEMBL4729074

CCC(Oc1ccc(C(C)=NOCCn2ccc3ccccc32)cc1C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
TSHR P16473 1/20 0.40
PPARA Q07869 9/20 0.39
PPARG P37231 9/20 0.39
PPARD Q03181 1/20 0.37
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 2/20 0.36
TRPM5 Q9NZQ8 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
TP53 P04637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NTSR1 P30989 1/20 0.35

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
SCHEMBL4729069 1.00 HTT (0.40) HTTTSHRPPARAPPARGPPARD
SCHEMBL4725557 0.89 TSHR (0.39) HTTTSHRPPARAPPARGPPARD
SCHEMBL4725558 0.89 TSHR (0.39) HTTTSHRPPARAPPARGPPARD
SCHEMBL4726370 0.88 HSD17B10 (0.39) HTTTSHRPPARAPPARGPPARD
SCHEMBL4726366 0.88 HSD17B10 (0.39) HTTTSHRPPARAPPARGPPARD
SCHEMBL4729739 0.85 SMN1; SMN2 (0.41) HTTTSHRPPARAPPARGPPARD
SCHEMBL4729736 0.85 SMN1; SMN2 (0.41) HTTTSHRPPARAPPARGPPARD
SCHEMBL4726775 0.85 PLA2G2A (0.43) PPARAPPARGPPARDALDH1A1LMNA
SCHEMBL4729371 0.82 PPARA (0.35) HTTTSHRPPARAPPARGPPARD
SCHEMBL4727002 0.81 PPARA (0.44) PPARAPPARGPPARDSMN1; SMN2

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