SCHEMBL15519810

SCHEMBL15519810

CC(C)(C)c1cccc(S(=O)(=O)n2c(CCc3ccc(C(=O)O)cc3)cc3cc(C(F)(F)F)cnc32)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 13/20 0.43
▸ PPARG P37231 4/20 0.41
▸ PPARA Q07869 4/20 0.41
▸ PPARD Q03181 3/20 0.41
▸ PTGER2 P43116 2/20 0.38
▸ PTGER4 P35408 1/20 0.38
▸ RORC P51449 1/20 0.37

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
SCHEMBL14054035 0.92 TRPM8 (0.44) TRPM8PPARGPPARAPPARDRORC
SCHEMBL15519980 0.88 PPARG (0.40) TRPM8PPARGPPARAPPARDPTGER2
SCHEMBL15519728 0.86 TRPM8 (0.42) TRPM8PPARG
SCHEMBL15519812 0.84 TRPM8 (0.37) TRPM8PPARGPPARAPPARDRORC
SCHEMBL15519262 0.84 TRPM8 (0.43) TRPM8PPARGPPARAPPARD
SCHEMBL14058225 0.83 RORC (0.39) TRPM8PPARGPPARAPPARDRORC
SCHEMBL15519975 0.82 TP53 (0.39) TRPM8PTGER4RORC
SCHEMBL14053670 0.81 TRPM8 (0.40) TRPM8PPARGPPARAPPARDRORC
SCHEMBL15519365 0.80 PPARG (0.41) TRPM8PPARGPPARAPPARDPTGER2
SCHEMBL15519779 0.80 PPARG (0.47) TRPM8PPARGPPARAPPARDRORC

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
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