SCHEMBL17834357

SCHEMBL17834357

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 1/20 0.46
▸ PPARG P37231 3/20 0.46
▸ PPARA Q07869 1/20 0.46
▸ ITGB3 P05106 3/20 0.45
▸ ITGA2B P08514 3/20 0.45
▸ ITGB1 P05556 2/20 0.43
▸ ITGA4 P13612 2/20 0.43
▸ RARB P10826 3/20 0.42
▸ KLKB1 P03952 1/20 0.41
▸ SPHK1 Q9NYA1 2/20 0.40
▸ GCGR P47871 1/20 0.40

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
SCHEMBL15019724 0.93 PPARG (0.47) PLGPPARGPPARAITGB3ITGA2B
SCHEMBL15019658 0.93 PPARG (0.47) PLGPPARGPPARAITGB3ITGA2B
SCHEMBL17834358 0.92 PPARG (0.48) PLGPPARGPPARAITGB3ITGA2B
SCHEMBL22448995 0.91 PPARG (0.48) PLGPPARGPPARAITGB3ITGA2B
SCHEMBL15037061 0.91 ITGB3 (0.54) PLGPPARGPPARAITGB3ITGA2B
SCHEMBL15019521 0.91 ITGB3 (0.54) PLGPPARGPPARAITGB3ITGA2B
SCHEMBL15037069 0.91 ITGB3 (0.54) PLGPPARGPPARAITGB3ITGA2B
SCHEMBL22449180 0.91 ITGB3 (0.54) PLGPPARGPPARAITGB3ITGA2B
SCHEMBL15019519 0.91 ITGB3 (0.54) PLGPPARGPPARAITGB3ITGA2B
SCHEMBL15092133 0.91 ITGB3 (0.54) PLGPPARGPPARAITGB3ITGA2B

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
Send feedback