SCHEMBL4729706

SCHEMBL4729706

Cc1oc(C(C)(C)C)nc1CON=CCCc1ccc(OCC(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.45
PPARA Q07869 12/20 0.45
FFAR1 O14842 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
PTPN1 P18031 1/20 0.36
EPHX2 P34913 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
PPARD Q03181 4/20 0.36

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
SCHEMBL4796629 0.84 PPARG (0.64) PPARGPPARAFFAR1PPARD
SCHEMBL4728539 0.84 PPARA (0.39) PPARGPPARAFFAR1SMN1; SMN2PPARD
SCHEMBL4728902 0.83 PPARA (0.55) PPARGPPARAFFAR1PPARD
SCHEMBL4729101 0.80 PPARD (0.47) PPARGPPARAFFAR1PPARD
SCHEMBL4726354 0.77 PPARG (0.46) PPARGPPARASMN1; SMN2PTPN1EPHX2
SCHEMBL4726360 0.77 PPARG (0.46) PPARGPPARASMN1; SMN2PTPN1EPHX2
SCHEMBL4727921 0.75 FFAR1 (0.53) PPARGPPARAFFAR1SMN1; SMN2PTPN1
SCHEMBL4730624 0.73 PPARD (0.44) PPARAFFAR1SMN1; SMN2PPARD
SCHEMBL4729104 0.72 PPARD (0.52) PPARGPPARAFFAR1SMN1; SMN2PPARD
SCHEMBL15543187 0.72 FFAR1 (0.52) PPARGPPARAFFAR1

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