SCHEMBL4739620

SCHEMBL4739620

CCCCC(Oc1ccc(CCC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)c(Cl)c1Cl)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.46
PPARD Q03181 14/20 0.46
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
PPARG P37231 5/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MAPT P10636 1/20 0.41
CRHBP P24387 1/20 0.41
KMT2A Q03164 1/20 0.41
CRHR2 Q13324 1/20 0.41
PTPN1 P18031 1/20 0.40

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
SCHEMBL4739636 0.92 PPARA (0.55) PPARAPPARDNPC1ALDH1A1GAA
SCHEMBL14146447 0.91 PPARA (0.42) PPARAPPARDNPC1ALDH1A1GAA
SCHEMBL14146847 0.84 PPARA (0.45) PPARAPPARDNPC1ALDH1A1GAA
SCHEMBL4740773 0.84 NPC1 (0.45) PPARAPPARDNPC1ALDH1A1GAA
SCHEMBL4737303 0.83 PPARA (0.48) PPARAPPARDNPC1ALDH1A1GAA
SCHEMBL14146343 0.82 KDM4E (0.44) PPARAPPARDNPC1ALDH1A1GAA
SCHEMBL4741580 0.81 PPARA (0.56) PPARAPPARDNPC1ALDH1A1GAA
SCHEMBL4740521 0.79 PPARA (0.45) PPARAPPARDNPC1ALDH1A1GAA
SCHEMBL4739616 0.79 ALDH1A1 (0.55) PPARAPPARDNPC1ALDH1A1GAA
SCHEMBL14146387 0.77 NPC1 (0.46) PPARAPPARDNPC1ALDH1A1GAA

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