SCHEMBL15519650

SCHEMBL15519650

CC(C)(C)c1cccc(S(=O)(=O)n2c(Cc3ccc(OC(=O)O)s3)cc3nc(C(F)(F)F)ccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 11/20 0.38
▸ PPARA Q07869 9/20 0.38
▸ PPARD Q03181 7/20 0.38
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RORC P51449 4/20 0.36
▸ HTR6 P50406 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL14053991 0.89 TP53 (0.38) PPARGPPARAPPARDTP53MAPT
SCHEMBL15519752 0.84 MAPT (0.38) PPARGPPARAPPARDTP53MAPT
SCHEMBL15519792 0.83 PPARG (0.39) PPARGPPARAPPARDTP53MAPT
SCHEMBL15519838 0.82 TP53 (0.39) PPARGPPARAPPARDTP53MAPT
SCHEMBL14053489 0.81 TP53 (0.39) PPARGPPARAPPARDTP53MAPT
SCHEMBL14053482 0.81 TP53 (0.42) PPARGPPARAPPARDTP53MAPT
SCHEMBL14054162 0.80 TP53 (0.38) PPARGPPARAPPARDTP53MAPT
SCHEMBL14053616 0.79 TP53 (0.42) PPARGPPARAPPARDTP53MAPT
SCHEMBL14053267 0.79 PPARG (0.39) PPARGPPARAPPARDTP53MAPT
SCHEMBL15519366 0.78 TP53 (0.37) PPARGPPARAPPARDTP53MAPT

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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