SCHEMBL4738822

SCHEMBL4738822

COc1ccc(-c2nc(C)c(C(=O)CCc3ccc(OC(C)(C)C(=O)O)c(Cl)c3Cl)s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.55
PPARD Q03181 7/20 0.51
PPARG P37231 4/20 0.47
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL4740499 0.93 PPARA (0.55) PPARAPPARDPPARGMAPTALDH1A1
SCHEMBL14146355 0.90 PPARA (0.45) PPARAPPARDPPARGMAPTALDH1A1
SCHEMBL4741580 0.89 PPARA (0.56) PPARAPPARDPPARGALDH1A1NPC1
SCHEMBL4737357 0.84 MAPT (0.43) PPARAPPARDPPARGMAPTALDH1A1
SCHEMBL14146453 0.83 MAPT (0.49) PPARAPPARDMAPTALDH1A1SMN1; SMN2
SCHEMBL4739679 0.83 PPARA (0.57) PPARAPPARDPPARGMAPTALDH1A1
SCHEMBL4738885 0.83 MAPT (0.49) PPARAMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL14146844 0.81 PPARA (0.51) PPARAPPARDPPARGMAPTALDH1A1
SCHEMBL14146852 0.81 PPARA (0.52) PPARAPPARDPPARGALDH1A1NPC1
SCHEMBL4739678 0.79 PPARA (0.62) PPARAPPARDPPARGALDH1A1NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008087367-A2 SUBSTITUTED (PHENYLTHIAZOLYL)-PHENYL-PROPAN-1-ONE AND (PHENYLOXAZODYL)-PHENYL-PROPAN-1-ONE DERIVATIVES, PREPARATIONS AND USES OF SAME GENFIT (FR) 2008-07-24 WO claimed
WO-2008087367-A2 SUBSTITUTED (PHENYLTHIAZOLYL)-PHENYL-PROPAN-1-ONE AND (PHENYLOXAZODYL)-PHENYL-PROPAN-1-ONE DERIVATIVES, PREPARATIONS AND USES OF SAME GENFIT (FR) 2008-07-24 WO disclosed
WO-2008087367-A2 SUBSTITUTED (PHENYLTHIAZOLYL)-PHENYL-PROPAN-1-ONE AND (PHENYLOXAZODYL)-PHENYL-PROPAN-1-ONE DERIVATIVES, PREPARATIONS AND USES OF SAME GENFIT (FR) 2008-07-24 WO disclosed