SCHEMBL10844697

SCHEMBL10844697

Cc1c([S+]([O-])CC(=O)O)ccc2c(-c3ccccc3)noc12

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 14/20 0.40
▸ PPARD Q03181 14/20 0.40
▸ PPARA Q07869 14/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP17A1 P05093 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38

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
SCHEMBL10642927 0.73 GPBAR1 (0.36) GAA
SCHEMBL10663367 0.63 PPARG (0.56) PPARGPPARDPPARA
SCHEMBL10658435 0.63 PPARG (0.53) PPARGPPARDPPARAMEN1KMT2A
SCHEMBL9828053 0.63 ALOX15 (0.45) PPARGPPARDPPARAMEN1GAA
SCHEMBL9827198 0.63 POLB (0.41) PPARGPPARDPPARAMEN1GAA
SCHEMBL10643636 0.62 GPBAR1 (0.34) PPARGPPARDPPARACYP1A2
SCHEMBL4013334 0.62 PPARA (0.54) PPARGPPARDPPARA
SCHEMBL9827847 0.61 PPARG (0.42) PPARGPPARDPPARA
SCHEMBL27495332 0.61 ALDH1A1 (0.59) MEN1GAAKMT2A
SCHEMBL14010211 0.60 PPARA (0.52) PPARGPPARDPPARA

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
US-4602028-A Antihypertensive 3-aryl-1,2-benzisoxazol-sulfonyl and sulfinylalkanoic acids HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1986-07-22 — — US disclosed
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