SCHEMBL4792890

SCHEMBL4792890

CC(C)(C)OC(=O)COc1ccc(SC(c2ccc(C(F)(F)F)cc2)c2n[nH]c3ccccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.40
PSEN1 P49768 3/20 0.39
PSEN2 P49810 3/20 0.39
APH1B Q8WW43 3/20 0.39
NCSTN Q92542 3/20 0.39
APH1A Q96BI3 3/20 0.39
PSENEN Q9NZ42 3/20 0.39
OPRK1 P41145 1/20 0.36
MCL1 Q07820 2/20 0.36
CNR1 P21554 1/20 0.35
PSMB5 P28074 1/20 0.35
PPARD Q03181 6/20 0.34
MAPK10 P53779 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4792460 0.88 PPARD (0.42) MCL1PPARD
SCHEMBL4845562 0.87 PPARD (0.39) OPRK1PPARD
SCHEMBL4793825 0.86 TRPV1 (0.33) MCL1CNR1PPARDMAPK10ALDH1A1
SCHEMBL4794898 0.83 PPARA (0.39) CNR1PPARD
SCHEMBL4792988 0.81 PPARD (0.41) PPARD
SCHEMBL4794155 0.80 PPARD (0.42) PPARD
SCHEMBL4794264 0.79 PPARD (0.44) PPARD
SCHEMBL4792723 0.78 PPARD (0.43) PPARD
SCHEMBL4794219 0.78 PPARD (0.43) PPARD
SCHEMBL4794817 0.77 MAPT (0.38) CNR1PPARD

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-1937647-A1 CONDENSED PYRAZOLE DERIVATIVES AS PPAR AGONISTS II Inpharmatica Limited (GB) 2008-07-02 EP disclosed
WO-2007036727-A1 CONDENSED PYRAZOLE DERIVATIVES AS PPAR AGONISTS II INPHARMATICA LIMITED (GB) 2007-04-05 WO disclosed