Sugi Predict

Sugi Predict / Compounds / SCHEMBL17859159

SCHEMBL17859159

SCHEMBL17859159

COc1cc(/C=C2/C(C)=C(CC(=O)Nc3cccc(O)c3)c3cc(F)ccc32)cc(OC)c1O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 12/20 0.60
▸ RXRA P19793 4/20 0.49
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA4 P22748 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NLRP3 Q96P20 1/20 0.44

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
SCHEMBL17848189 0.93 PPARG (0.62) PPARGRXRACA12CA1CA2
SCHEMBL17848299 0.93 PPARG (0.56) PPARGRXRACA12CA1CA2
SCHEMBL17848300 0.93 PPARG (0.56) PPARGRXRACA12CA1CA2
SCHEMBL17848187 0.93 PPARG (0.62) PPARGRXRACA12CA1CA2
SCHEMBL17821316 0.92 PPARG (0.57) PPARGRXRACA12CA1CA2
SCHEMBL17821315 0.92 PPARG (0.57) PPARGRXRACA12CA1CA2
SCHEMBL17848323 0.91 PPARG (0.57) PPARGRXRACA12CA1CA2
SCHEMBL17848222 0.91 PPARG (0.57) PPARGRXRACA12CA1CA2
SCHEMBL17848221 0.90 CA12 (0.56) PPARGRXRACA12CA1CA2
SCHEMBL17848264 0.90 CA12 (0.56) PPARGRXRACA12CA1CA2

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
WO-2016099452-A1 RAS-INHIBITING INDENYL ACETAMIDE COMPOUNDS, COMPOSITIONS, AND USES ADT PHARMACEUTICALS, INC. (US) 2016-06-23 — — WO disclosed
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