SCHEMBL22449264

SCHEMBL22449264

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 7/20 0.44
▸ ITGA2B P08514 7/20 0.44
▸ ITGB1 P05556 4/20 0.42
▸ ITGA4 P13612 4/20 0.42
▸ SRC P12931 1/20 0.39
▸ KLKB1 P03952 2/20 0.39
▸ PLG P00747 1/20 0.37
▸ PPARG P37231 2/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ MME P08473 1/20 0.37
▸ ACE P12821 1/20 0.37
▸ CPA1 P15085 1/20 0.37
▸ ACE2 Q9BYF1 1/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ PRSS1 P07477 1/20 0.36
▸ TMPRSS15 P98073 1/20 0.36

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
SCHEMBL15019726 1.00 ITGB3 (0.44) ITGB3ITGA2BITGB1ITGA4SRC
SCHEMBL15037157 1.00 ITGB3 (0.44) ITGB3ITGA2BITGB1ITGA4SRC
SCHEMBL15037412 1.00 ITGB3 (0.44) ITGB3ITGA2BITGB1ITGA4SRC
SCHEMBL15019727 1.00 ITGB3 (0.44) ITGB3ITGA2BITGB1ITGA4SRC
SCHEMBL15037071 0.95 ITGB3 (0.44) ITGB3ITGA2BITGB1ITGA4SRC
SCHEMBL15037077 0.95 ITGB3 (0.44) ITGB3ITGA2BITGB1ITGA4SRC
SCHEMBL22449330 0.95 ITGB3 (0.44) ITGB3ITGA2BITGB1ITGA4SRC
SCHEMBL16380220 0.94 ITGB3 (0.43) ITGB3ITGA2BITGB1ITGA4SRC
SCHEMBL16305365 0.94 ITGB1 (0.44) ITGB3ITGA2BITGB1ITGA4SRC
SCHEMBL22756192 0.94 ITGB1 (0.44) ITGB3ITGA2BITGB1ITGA4SRC

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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