SCHEMBL22384280

SCHEMBL22384280

CCCCCCCOc1ccc(-c2cnc(-c3ccc(CC(NC)C(=O)NC(CC(=O)OCc4ccccc4)C(=O)OC(C)(C)C)cc3)nc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 5/20 0.42
▸ ITGA2B P08514 5/20 0.42
▸ ITGB1 P05556 1/20 0.42
▸ ITGA4 P13612 1/20 0.42
▸ BCL2 P10415 1/20 0.41
▸ KLKB1 P03952 2/20 0.40
▸ MMP1 P03956 5/20 0.40
▸ MMP3 P08254 2/20 0.40
▸ MMP9 P14780 2/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ REN P00797 1/20 0.39
▸ MME P08473 1/20 0.39
▸ ACE P12821 1/20 0.39
▸ CPA1 P15085 1/20 0.39
▸ ACE2 Q9BYF1 1/20 0.39
▸ PSMB1 P20618 1/20 0.39
▸ PSMB8 P28062 1/20 0.39
▸ PSMB9 P28065 1/20 0.39
▸ PSMB5 P28074 1/20 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
SCHEMBL22384109 0.91 KLKB1 (0.46) ITGB3ITGA2BITGB1ITGA4BCL2
SCHEMBL19485518 0.91 KLKB1 (0.46) ITGB3ITGA2BITGB1ITGA4BCL2
SCHEMBL22384069 0.88 KLKB1 (0.41) ITGB3ITGA2BITGB1ITGA4BCL2
SCHEMBL19485472 0.88 KLKB1 (0.41) ITGB3ITGA2BITGB1ITGA4BCL2
SCHEMBL15091950 0.86 ITGB3 (0.54) ITGB3ITGA2BBCL2
SCHEMBL15037032 0.86 ITGB3 (0.54) ITGB3ITGA2BBCL2
SCHEMBL16305637 0.84 ITGB3 (0.50) ITGB3ITGA2BBCL2PSMB1PSMB8
SCHEMBL17968817 0.84 KLKB1 (0.46) ITGB3ITGA2BITGB1ITGA4KLKB1
SCHEMBL16306083 0.84 KLKB1 (0.46) ITGB3ITGA2BITGB1ITGA4KLKB1
SCHEMBL17995088 0.83 KLKB1 (0.43) 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-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 — — EP disclosed
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