SCHEMBL4725558

SCHEMBL4725558

CCCC(=NOCCn1ccc2ccccc21)c1ccc(OC(CC)C(=O)O)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
PPARA Q07869 8/20 0.37
TRPM5 Q9NZQ8 1/20 0.36
PPARG P37231 7/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 2/20 0.35
PLA2G2A P14555 1/20 0.35
MCL1 Q07820 1/20 0.35
PPARD Q03181 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
TNF P01375 1/20 0.34

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
SCHEMBL4725557 1.00 TSHR (0.39) TSHRHTTPPARATRPM5PPARG
SCHEMBL4726370 0.91 HSD17B10 (0.39) TSHRHTTPPARATRPM5PPARG
SCHEMBL4726366 0.91 HSD17B10 (0.39) TSHRHTTPPARATRPM5PPARG
SCHEMBL4729069 0.89 HTT (0.40) TSHRHTTPPARATRPM5PPARG
SCHEMBL4729074 0.89 HTT (0.40) TSHRHTTPPARATRPM5PPARG
SCHEMBL4726530 0.86 PLA2G2A (0.44) PPARAPPARGSMN1; SMN2ALDH1A1PLA2G2A
SCHEMBL4726529 0.86 PLA2G2A (0.44) PPARAPPARGSMN1; SMN2ALDH1A1PLA2G2A
SCHEMBL4729739 0.83 SMN1; SMN2 (0.41) TSHRHTTPPARAPPARGSMN1; SMN2
SCHEMBL4729736 0.83 SMN1; SMN2 (0.41) TSHRHTTPPARAPPARGSMN1; SMN2
SCHEMBL4727935 0.82 PPARG (0.44) TSHRHTTPPARAPPARGSMN1; 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 disclosed