SCHEMBL6438846

SCHEMBL6438846

CCOC(=O)C(Cc1ccc(OCCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1C)OCC

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 16/20 0.59
PPARA Q07869 13/20 0.59
PPARG P37231 6/20 0.59
PTPN1 P18031 1/20 0.47
FFAR1 O14842 3/20 0.47
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
HSP90AA1 P07900 1/20 0.44
CRHBP P24387 1/20 0.44
KMT2A Q03164 1/20 0.44
CRHR2 Q13324 1/20 0.44

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
SCHEMBL6437776 0.95 PPARD (0.57) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL3374589 0.92 PPARD (0.68) PPARDPPARAPPARGFFAR1
SCHEMBL3368623 0.91 PPARA (0.49) PPARDPPARAPPARGPTPN1FFAR1
SCHEMBL3372520 0.89 PPARG (0.49) PPARDPPARAPPARGMAPTKDM4E
SCHEMBL3370886 0.89 PTPN1 (0.51) PPARDPPARAPPARGPTPN1FFAR1
SCHEMBL3371082 0.89 PPARD (0.49) PPARDPPARAPPARGPTPN1FFAR1
SCHEMBL6441962 0.89 PPARD (0.59) PPARDPPARAPPARGFFAR1
SCHEMBL3370561 0.89 PPARD (0.51) PPARDPPARAPPARGPTPN1FFAR1
SCHEMBL6439572 0.88 PPARD (0.53) PPARDPPARAPPARGFFAR1MAPT
SCHEMBL3370283 0.88 PPARD (0.50) PPARDPPARAPPARGPTPN1FFAR1

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
EP-1537091-A1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMMA AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2005-06-08 EP disclosed
WO-2004020420-A1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMA AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2004-03-11 WO disclosed