SCHEMBL4738833

SCHEMBL4738833

Cc1cc(/C=C\C(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc(C)c1OC(C)(C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.56
PPARD Q03181 9/20 0.54
PPARG P37231 4/20 0.54
KCNH2 Q12809 1/20 0.52
MAPT P10636 2/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
ATM Q13315 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL14146843 1.00 PPARA (0.56) PPARAPPARDPPARGKCNH2MAPT
SCHEMBL4738834 1.00 PPARA (0.56) PPARAPPARDPPARGKCNH2MAPT
SCHEMBL14146505 0.90 ALDH1A1 (0.47) PPARAPPARDPPARGKCNH2MAPT
SCHEMBL4739589 0.85 ALDH1A1 (0.57) PPARAPPARDPPARGMAPTALDH1A1
SCHEMBL4739592 0.85 ALDH1A1 (0.57) PPARAPPARDPPARGMAPTALDH1A1
SCHEMBL12463781 0.80 PPARA (0.72) PPARAPPARDPPARGKCNH2
SCHEMBL4737307 0.80 PPARA (0.54) PPARAPPARDPPARGMAPTALDH1A1
SCHEMBL4737309 0.80 PPARA (0.54) PPARAPPARDPPARGMAPTALDH1A1
SCHEMBL4740729 0.78 MAPT (0.62) PPARAPPARDPPARGMAPTALDH1A1
SCHEMBL4740731 0.78 MAPT (0.62) PPARAPPARDPPARGMAPTALDH1A1

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-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