SCHEMBL15519980

SCHEMBL15519980

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

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 4/20 0.40
▸ PPARA Q07869 4/20 0.40
▸ PPARD Q03181 3/20 0.40
▸ TRPM8 Q7Z2W7 14/20 0.40
▸ PTGER2 P43116 2/20 0.37
▸ PTGER4 P35408 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
SCHEMBL14053670 0.93 TRPM8 (0.40) PPARGPPARAPPARDTRPM8
SCHEMBL15519262 0.91 TRPM8 (0.43) PPARGPPARAPPARDTRPM8
SCHEMBL15519810 0.88 TRPM8 (0.43) PPARGPPARAPPARDTRPM8PTGER2
SCHEMBL15519674 0.87 TRPM8 (0.39) PPARDTRPM8
SCHEMBL15519981 0.85 TRPM8 (0.36) PPARGPPARAPPARDTRPM8
SCHEMBL15519817 0.84 TRPM8 (0.37) TRPM8PTGER4
SCHEMBL14054203 0.84 RORC (0.38) PPARGPPARAPPARD
SCHEMBL2279719 0.83 TRPM8 (0.43) TRPM8
SCHEMBL14054035 0.81 TRPM8 (0.44) PPARGPPARAPPARDTRPM8
SCHEMBL15519779 0.78 PPARG (0.47) PPARGPPARAPPARDTRPM8

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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