SCHEMBL3401607

SCHEMBL3401607

CCOC(Cc1ccc(OCc2csc(-c3cccc(Cl)c3)n2)cc1C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.51
PPARG P37231 7/20 0.51
L3MBTL1 Q9Y468 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.40
KLKB1 P03952 1/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 2/20 0.40
POLB P06746 1/20 0.40
PPARD Q03181 1/20 0.40
SUCNR1 Q9BXA5 1/20 0.40
FFAR1 O14842 2/20 0.40
THRB P10828 1/20 0.40
SCN9A Q15858 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL3372523 1.00 PPARA (0.51) PPARAPPARGL3MBTL1TRPM8KLKB1
SCHEMBL3372464 0.91 PPARA (0.47) PPARAPPARGL3MBTL1MAPTTP53
SCHEMBL3373870 0.91 PPARA (0.48) PPARAPPARGMAPTTP53PPARD
SCHEMBL3369875 0.91 PPARA (0.48) PPARAPPARGMAPTTP53PPARD
SCHEMBL3369621 0.89 EIF4E (0.41) PPARAPPARGTP53PPARDTHRB
SCHEMBL6527178 0.89 EIF4E (0.41) PPARAPPARGTP53PPARDTHRB
SCHEMBL3373193 0.86 PPARG (0.49) PPARAPPARGL3MBTL1PPARDALDH1A1
SCHEMBL3368818 0.86 PPARA (0.42) PPARAPPARGL3MBTL1POLBPPARD
SCHEMBL3375399 0.85 ALDH1A1 (0.47) PPARAPPARGL3MBTL1MAPTTP53
SCHEMBL3370434 0.84 PPARA (0.46) PPARAPPARGTP53PPARDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537091-B1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMMA AGONISTS HOFFMANN LA ROCHE (CH) 2010-10-06 EP disclosed