SCHEMBL22449330

SCHEMBL22449330

CCCCCCCOc1ccc(-c2cnc(-c3ccc(CC(NC(=O)c4ccc(C(C)(C)C)s4)C(=O)NC(CCC(=O)O)C(=O)O)cc3)nc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 7/20 0.44
▸ ITGA2B P08514 7/20 0.44
▸ ITGB1 P05556 4/20 0.43
▸ ITGA4 P13612 4/20 0.43
▸ S1PR1 P21453 2/20 0.40
▸ S1PR3 Q99500 2/20 0.40
▸ S1PR4 O95977 1/20 0.40
▸ KLKB1 P03952 2/20 0.39
▸ SRC P12931 3/20 0.39
▸ FOLH1 Q04609 2/20 0.39

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
SCHEMBL15037077 1.00 ITGB3 (0.44) ITGB3ITGA2BITGB1ITGA4S1PR1
SCHEMBL15037071 1.00 ITGB3 (0.44) ITGB3ITGA2BITGB1ITGA4S1PR1
SCHEMBL16306079 0.97 ITGB3 (0.44) ITGB3ITGA2BITGB1ITGA4S1PR1
SCHEMBL15037412 0.95 ITGB3 (0.44) ITGB3ITGA2BITGB1ITGA4KLKB1
SCHEMBL22449264 0.95 ITGB3 (0.44) ITGB3ITGA2BITGB1ITGA4KLKB1
SCHEMBL15019726 0.95 ITGB3 (0.44) ITGB3ITGA2BITGB1ITGA4KLKB1
SCHEMBL15037157 0.95 ITGB3 (0.44) ITGB3ITGA2BITGB1ITGA4KLKB1
SCHEMBL15019727 0.95 ITGB3 (0.44) ITGB3ITGA2BITGB1ITGA4KLKB1
SCHEMBL22756192 0.95 ITGB1 (0.44) ITGB3ITGA2BITGB1ITGA4KLKB1
SCHEMBL16305365 0.95 ITGB1 (0.44) ITGB3ITGA2BITGB1ITGA4KLKB1

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-2791112-B1 CARBOXYLIC ACID DERIVATIVES COMPRISING FOUR CYCLES ACTING AS GLP-1 RECEPTOR MODULATORS FOR THERAPY OF DISEASES SUCH AS DIABETES CELGENE INT II SÀRL (CH) 2020-09-23 — — EP disclosed
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