SCHEMBL22449278

SCHEMBL22449278

CCCCCCCOc1ccc(-c2cnc(-c3ccc(CC(NC(=O)c4ccc(C)cc4)C(=O)O)cc3)nc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 5/20 0.60
▸ ITGA4 P13612 4/20 0.60
▸ ITGB3 P05106 6/20 0.56
▸ ITGA2B P08514 5/20 0.56
▸ PPARG P37231 3/20 0.54
▸ PPARA Q07869 1/20 0.54
▸ RARB P10826 3/20 0.48
▸ GPR132 Q9UNW8 1/20 0.47
▸ ITGAV P06756 1/20 0.47
▸ ITGA5 P08648 1/20 0.47
▸ PLK1 P53350 2/20 0.46

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
SCHEMBL15037285 1.00 ITGB1 (0.60) ITGB1ITGA4ITGB3ITGA2BPPARG
SCHEMBL22449214 0.96 ITGB3 (0.59) ITGB1ITGA4ITGB3ITGA2BPPARG
SCHEMBL15037175 0.96 ITGB3 (0.59) ITGB1ITGA4ITGB3ITGA2BPPARG
SCHEMBL15100180 0.94 ITGB3 (0.63) ITGB1ITGA4ITGB3ITGA2BPPARG
SCHEMBL22449199 0.94 ITGB3 (0.56) ITGB1ITGA4ITGB3ITGA2BPPARG
SCHEMBL15100148 0.94 ITGB3 (0.56) ITGB1ITGA4ITGB3ITGA2BPPARG
SCHEMBL15037274 0.94 ITGB3 (0.56) ITGB1ITGA4ITGB3ITGA2BPPARG
SCHEMBL22448946 0.93 ITGB3 (0.56) ITGB1ITGA4ITGB3ITGA2BPPARG
SCHEMBL15100127 0.93 ITGB3 (0.56) ITGB1ITGA4ITGB3ITGA2BPPARG
SCHEMBL22449263 0.93 ITGB3 (0.56) ITGB1ITGA4ITGB3ITGA2BPPARG

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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