SCHEMBL22384162

SCHEMBL22384162

CCCCCCCOc1ccc(-c2cnc(-c3ccc(C[C@H](NC(=O)c4ccc(C(C)(C)C)s4)C(=O)N[C@@H](CC)C(O)O)cc3)nc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 3/20 0.39
▸ ITGA4 P13612 3/20 0.39
▸ ITGB3 P05106 4/20 0.39
▸ ITGA2B P08514 4/20 0.39
▸ PLG P00747 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ KLKB1 P03952 2/20 0.37
▸ PPARG P37231 3/20 0.36
▸ RARB P10826 3/20 0.36
▸ S1PR4 O95977 2/20 0.35
▸ S1PR1 P21453 2/20 0.35
▸ S1PR3 Q99500 2/20 0.35
▸ S1PR5 Q9H228 2/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ XIAP P98170 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
SCHEMBL22756228 0.95 ITGB3 (0.40) ITGB1ITGA4ITGB3ITGA2BPLG
SCHEMBL19544621 0.94 ITGB3 (0.41) ITGB1ITGA4ITGB3ITGA2BPLG
SCHEMBL19807126 0.94 ITGB1 (0.40) ITGB1ITGA4ITGB3ITGA2BPLG
SCHEMBL22756166 0.93 ITGB1 (0.38) ITGB1ITGA4ITGB3ITGA2BPLG
SCHEMBL22756182 0.92 ITGB3 (0.40) ITGB1ITGA4ITGB3ITGA2BPLG
SCHEMBL20900635 0.92 PLG (0.41) ITGB1ITGA4ITGB3ITGA2BPLG
SCHEMBL19807138 0.90 PLG (0.37) ITGB1ITGA4ITGB3ITGA2BPLG
SCHEMBL22756185 0.90 KLKB1 (0.39) ITGB1ITGA4ITGB3ITGA2BPLG
SCHEMBL22384275 0.90 PLG (0.47) ITGB1ITGA4ITGB3ITGA2BPLG
SCHEMBL16305367 0.90 ITGB1 (0.45) ITGB1ITGA4ITGB3ITGA2BPLG

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-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 — — EP disclosed
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