SCHEMBL17834358

SCHEMBL17834358

C=C(O)[C@H](Cc1ccc(-c2ncc(-c3ccc(OCCCCCCC)cc3)cn2)cc1)NC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.48
▸ PPARA Q07869 1/20 0.48
▸ ITGB1 P05556 3/20 0.46
▸ ITGA4 P13612 3/20 0.46
▸ ITGB3 P05106 3/20 0.46
▸ ITGA2B P08514 3/20 0.46
▸ RARB P10826 3/20 0.45
▸ PLG P00747 1/20 0.45
▸ GCGR P47871 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KLKB1 P03952 1/20 0.41

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
SCHEMBL15019521 0.93 ITGB3 (0.54) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL22449180 0.93 ITGB3 (0.54) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL15037069 0.93 ITGB3 (0.54) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL15092133 0.93 ITGB3 (0.54) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL15037062 0.93 ITGB3 (0.54) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL15037061 0.93 ITGB3 (0.54) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL15019519 0.93 ITGB3 (0.54) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL17834357 0.92 PLG (0.46) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL15037204 0.92 ITGB1 (0.55) PPARGPPARAITGB1ITGA4ITGB3
SCHEMBL22448995 0.92 PPARG (0.48) PPARGPPARAITGB1ITGA4ITGB3

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-2016094729-A1 GLP-1 RECEPTOR MODULATORS CELGENE INTERNATIONAL II SARL (CH) 2016-06-16 — — WO disclosed
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