SCHEMBL15519838

SCHEMBL15519838

CC(C)(C)c1cccc(S(=O)(=O)n2c(C(O)c3ccc(OC(=O)O)s3)cc3nc(C(F)(F)F)ccc32)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RORC P51449 5/20 0.34
▸ PPARG P37231 4/20 0.33
▸ PPARD Q03181 4/20 0.33
▸ PPARA Q07869 4/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ GBA1 P04062 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ HTR6 P50406 3/20 0.31
▸ RECQL P46063 1/20 0.31

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
SCHEMBL14053485 0.89 TP53 (0.40) TP53MAPTRORCPPARGPPARD
SCHEMBL15519752 0.84 MAPT (0.38) TP53MAPTRORCPPARGPPARD
SCHEMBL15519650 0.82 PPARG (0.38) TP53MAPTRORCPPARGPPARD
SCHEMBL15519846 0.78 TP53 (0.41) TP53MAPTRORCPPARGPPARD
SCHEMBL14054794 0.77 TP53 (0.35) TP53MAPTRORCPPARGPPARD
SCHEMBL18299930 0.76 TP53 (0.36) TP53MAPTRORCPPARGPPARD
SCHEMBL12096759 0.75 PPARG (0.43) TP53MAPTRORCPPARGPPARD
SCHEMBL14054102 0.75 MAPT (0.40) TP53MAPTRORCPPARGPPARD
SCHEMBL12096942 0.74 PPARG (0.44) TP53MAPTRORCPPARGPPARD
SCHEMBL15519792 0.74 PPARG (0.39) TP53MAPTRORCPPARGPPARD

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
Send feedback