SCHEMBL15519779

SCHEMBL15519779

CN1CCOc2ccc(S(=O)(=O)n3c(CCc4ccc(C(=O)O)cc4)cc4cc(C(F)(F)F)cnc43)cc21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.47
▸ PPARD Q03181 1/20 0.47
▸ PPARA Q07869 1/20 0.47
▸ TRPM8 Q7Z2W7 11/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ PKLR P30613 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ RORC P51449 3/20 0.37
▸ KLKB1 P03952 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
SCHEMBL14053292 0.93 PPARG (0.44) PPARGPPARDPPARATRPM8NPC1
SCHEMBL15519780 0.86 PPARG (0.42) PPARGPPARDPPARATRPM8NPC1
SCHEMBL15520175 0.86 PPARG (0.53) PPARGPPARDPPARANPC1PKM
SCHEMBL14053872 0.85 CYP2C9 (0.42) PPARGPPARDPPARANPC1PKM
SCHEMBL15519262 0.80 TRPM8 (0.43) PPARGPPARDPPARATRPM8
SCHEMBL12096870 0.80 PPARG (0.55) PPARGPPARDPPARANPC1PKM
SCHEMBL15519810 0.80 TRPM8 (0.43) PPARGPPARDPPARATRPM8RORC
SCHEMBL27892484 0.79 TRPM8 (0.34) PPARGPPARDPPARATRPM8RORC
SCHEMBL14053920 0.79 PPARG (0.50) PPARGPPARDPPARATRPM8NPC1
SCHEMBL15519980 0.78 PPARG (0.40) PPARGPPARDPPARATRPM8

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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