SCHEMBL15520413

SCHEMBL15520413

CC(C)c1ccc(S(=O)(=O)n2c(CCc3ccc(C(=O)O)cc3)cc3nc(C(F)(F)F)ccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 10/20 0.41
▸ PPARA Q07869 8/20 0.41
▸ PPARD Q03181 8/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NOD1 Q9Y239 1/20 0.39
▸ TRPV1 Q8NER1 3/20 0.38
▸ RORC P51449 2/20 0.37
▸ IDH1 O75874 1/20 0.37
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ TRPM8 Q7Z2W7 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
SCHEMBL2275980 0.92 SMN1; SMN2 (0.41) PPARGPPARAPPARDSMN1; SMN2NOD1
SCHEMBL15520419 0.86 PPARG (0.41) PPARGPPARAPPARDRXRARXRB
SCHEMBL3531194 0.84 PPARG (0.58) PPARGPPARAPPARD
SCHEMBL15520414 0.83 NOD1 (0.38) PPARGPPARAPPARDSMN1; SMN2NOD1
SCHEMBL15519365 0.83 PPARG (0.41) PPARGPPARAPPARDRORCRXRA
SCHEMBL14054331 0.82 IDH1 (0.43) PPARGPPARAPPARDNOD1RORC
SCHEMBL15519262 0.80 TRPM8 (0.43) PPARGPPARAPPARDTRPM8
SCHEMBL14054109 0.78 RORC (0.39) PPARGPPARAPPARDNOD1RORC
SCHEMBL12096737 0.77 PPARG (0.54) PPARGPPARAPPARDRORC
SCHEMBL14053489 0.75 TP53 (0.39) PPARGPPARAPPARDRORCIDH1

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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