SCHEMBL15519674

SCHEMBL15519674

CC(C)c1cccc(S(=O)(=O)n2c(C(O)Cc3ccc(C(=O)O)cc3)cc3cc(C(F)(F)F)cnc32)c1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 18/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PPARD Q03181 1/20 0.35

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
SCHEMBL15519728 0.89 TRPM8 (0.42) TRPM8L3MBTL1
SCHEMBL15519817 0.89 TRPM8 (0.37) TRPM8
SCHEMBL14053670 0.88 TRPM8 (0.40) TRPM8PPARD
SCHEMBL15519980 0.87 PPARG (0.40) TRPM8PPARD
SCHEMBL14053977 0.81 CYP3A4 (0.36) PPARD
SCHEMBL15519675 0.81 TRPM8 (0.34) TRPM8PPARD
SCHEMBL15519981 0.80 TRPM8 (0.36) TRPM8PPARD
SCHEMBL14054203 0.79 RORC (0.38) PPARD
SCHEMBL15519975 0.79 TP53 (0.39) TRPM8L3MBTL1
SCHEMBL15520543 0.78 RXRA (0.39) TRPM8

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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