SCHEMBL15519194

SCHEMBL15519194

CC(C)(C)c1cccc(S(=O)(=O)n2c(C(=O)O)cc3cc(C(F)(F)F)ncc32)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 2/20 0.46
▸ CCR2 P41597 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CCR9 P51686 4/20 0.39
▸ PPARG P37231 5/20 0.39
▸ ACLY P53396 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PPARA Q07869 3/20 0.37
▸ PPARD Q03181 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ ACHE P22303 1/20 0.36

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
SCHEMBL14054316 0.87 NOD2 (0.48) RORCMAPTPPARGPPARAPPARD
SCHEMBL14124687 0.84 PPARG (0.41) RORCMAPTTP53PPARGALDH1A1
SCHEMBL14124693 0.82 MRGPRX4 (0.41) RORCPPARGALDH1A1PPARAPPARD
SCHEMBL14057067 0.82 PPARG (0.39) RORCMAPTTP53PPARGALDH1A1
SCHEMBL14053938 0.81 PPARG (0.38) RORCMAPTTP53CCR9PPARG
SCHEMBL14053566 0.80 PPARG (0.39) RORCPPARGPPARAPPARD
SCHEMBL14058394 0.80 PPARG (0.38) RORCMAPTTP53PPARGPPARA
SCHEMBL14054058 0.80 PPARG (0.38) RORCMAPTTP53PPARGPPARA
SCHEMBL14054024 0.79 PPARG (0.40) RORCCCR9PPARGPPARAPPARD
SCHEMBL15520693 0.77 PPARG (0.41) RORCMAPTTP53PPARGPPARA

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 disclosed
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