SCHEMBL22756182

SCHEMBL22756182

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 4/20 0.40
▸ ITGA2B P08514 4/20 0.40
▸ S1PR1 P21453 4/20 0.39
▸ S1PR3 Q99500 4/20 0.39
▸ S1PR4 O95977 2/20 0.39
▸ ITGB1 P05556 3/20 0.39
▸ ITGA4 P13612 3/20 0.39
▸ PLG P00747 1/20 0.37
▸ SRC P12931 4/20 0.37
▸ KLKB1 P03952 2/20 0.37
▸ S1PR5 Q9H228 1/20 0.36
▸ RARB P10826 2/20 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
SCHEMBL19544621 0.93 ITGB3 (0.41) ITGB3ITGA2BITGB1ITGA4PLG
SCHEMBL22384162 0.92 ITGB1 (0.39) ITGB3ITGA2BS1PR1S1PR3S1PR4
SCHEMBL16306079 0.92 ITGB3 (0.44) ITGB3ITGA2BS1PR1S1PR3S1PR4
SCHEMBL22756228 0.92 ITGB3 (0.40) ITGB3ITGA2BITGB1ITGA4PLG
SCHEMBL19807126 0.90 ITGB1 (0.40) ITGB3ITGA2BITGB1ITGA4PLG
SCHEMBL22449330 0.90 ITGB3 (0.44) ITGB3ITGA2BS1PR1S1PR3S1PR4
SCHEMBL15037077 0.90 ITGB3 (0.44) ITGB3ITGA2BS1PR1S1PR3S1PR4
SCHEMBL15037071 0.90 ITGB3 (0.44) ITGB3ITGA2BS1PR1S1PR3S1PR4
SCHEMBL22756166 0.90 ITGB1 (0.38) ITGB3ITGA2BITGB1ITGA4PLG
SCHEMBL16305549 0.90 PLG (0.46) ITGB3ITGA2BS1PR1S1PR3S1PR4

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-3008056-B1 NOVEL GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-12-09 — — EP disclosed
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