SCHEMBL15519262

SCHEMBL15519262

CC(C)c1ccc(S(=O)(=O)n2c(CCc3ccc(C(=O)O)cc3)cc3cc(C(F)(F)F)cnc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 17/20 0.43
▸ PPARG P37231 3/20 0.41
▸ PPARA Q07869 3/20 0.41
▸ PPARD Q03181 2/20 0.41

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
SCHEMBL2279719 0.92 TRPM8 (0.43) TRPM8
SCHEMBL15519980 0.91 PPARG (0.40) TRPM8PPARGPPARAPPARD
SCHEMBL15519263 0.84 TRPM8 (0.38) TRPM8PPARGPPARAPPARD
SCHEMBL15519810 0.84 TRPM8 (0.43) TRPM8PPARGPPARAPPARD
SCHEMBL15520419 0.83 PPARG (0.41) TRPM8PPARGPPARAPPARD
SCHEMBL14054218 0.83 RORC (0.41) TRPM8PPARGPPARAPPARD
SCHEMBL14053670 0.83 TRPM8 (0.40) TRPM8PPARGPPARAPPARD
SCHEMBL15519779 0.80 PPARG (0.47) TRPM8PPARGPPARAPPARD
SCHEMBL15520413 0.80 PPARG (0.41) TRPM8PPARGPPARAPPARD
SCHEMBL2365154 0.79 RXRA (0.39) TRPM8PPARGPPARD

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-2521727-B1 NEW BENZOIC PYRROLOPYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PARKINSON'S DISEASE INVENTIVA (FR) 2014-03-19 — — EP claimed
Send feedback