SCHEMBL22449285

SCHEMBL22449285

CCCCCCOc1ccc(-c2cnc(-c3ccc(CC(NC(=O)c4ccc(C(C)(C)C)s4)C(=O)O)cc3)nc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 10/20 0.51
▸ ITGA2B P08514 10/20 0.51
▸ ITGB1 P05556 5/20 0.51
▸ ITGA4 P13612 4/20 0.51
▸ PPARG P37231 2/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ RARB P10826 3/20 0.41
▸ ITGA5 P08648 1/20 0.41

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
SCHEMBL15019627 1.00 ITGB3 (0.51) ITGB3ITGA2BITGB1ITGA4PPARG
SCHEMBL15091900 1.00 ITGB3 (0.51) ITGB3ITGA2BITGB1ITGA4PPARG
SCHEMBL15037058 1.00 ITGB3 (0.51) ITGB3ITGA2BITGB1ITGA4PPARG
SCHEMBL15037221 1.00 ITGB3 (0.51) ITGB3ITGA2BITGB1ITGA4PPARG
SCHEMBL15037035 1.00 ITGB3 (0.51) ITGB3ITGA2BITGB1ITGA4PPARG
SCHEMBL15096631 1.00 ITGB3 (0.51) ITGB3ITGA2BITGB1ITGA4PPARG
SCHEMBL15020017 1.00 ITGB3 (0.51) ITGB3ITGA2BITGB1ITGA4PPARG
SCHEMBL22449298 1.00 ITGB3 (0.51) ITGB3ITGA2BITGB1ITGA4PPARG
SCHEMBL22449249 1.00 ITGB3 (0.51) ITGB3ITGA2BITGB1ITGA4PPARG
SCHEMBL15037210 1.00 ITGB3 (0.51) ITGB3ITGA2BITGB1ITGA4PPARG

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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