SCHEMBL22384144

SCHEMBL22384144

CCCCCCCOc1ccc(-c2cnc(-c3ccc(CC(NC(=O)c4ccc(C(C)(C)C)s4)C(=O)NC(Cc4ccccc4)C(=O)O)cc3)nc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 3/20 0.50
▸ ITGA4 P13612 3/20 0.50
▸ ITGB3 P05106 10/20 0.48
▸ ITGA2B P08514 10/20 0.48
▸ KLKB1 P03952 5/20 0.45
▸ MME P08473 1/20 0.42
▸ ACE P12821 1/20 0.42
▸ CPA1 P15085 1/20 0.42
▸ ACE2 Q9BYF1 1/20 0.42
▸ PLG P00747 1/20 0.42

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
SCHEMBL16306073 1.00 ITGB1 (0.50) ITGB1ITGA4ITGB3ITGA2BKLKB1
SCHEMBL16305712 1.00 ITGB1 (0.50) ITGB1ITGA4ITGB3ITGA2BKLKB1
SCHEMBL16305934 1.00 ITGB1 (0.50) ITGB1ITGA4ITGB3ITGA2BKLKB1
SCHEMBL16305708 1.00 ITGB1 (0.50) ITGB1ITGA4ITGB3ITGA2BKLKB1
SCHEMBL16305548 0.95 ITGB1 (0.46) ITGB1ITGA4ITGB3ITGA2BKLKB1
SCHEMBL16305367 0.95 ITGB1 (0.45) ITGB1ITGA4ITGB3ITGA2BKLKB1
SCHEMBL16305368 0.95 ITGB1 (0.45) ITGB1ITGA4ITGB3ITGA2BKLKB1
SCHEMBL22449249 0.95 ITGB3 (0.51) ITGB1ITGA4ITGB3ITGA2B
SCHEMBL15037035 0.95 ITGB3 (0.51) ITGB1ITGA4ITGB3ITGA2B
SCHEMBL22449285 0.95 ITGB3 (0.51) ITGB1ITGA4ITGB3ITGA2B

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
Send feedback