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SCHEMBL22384263

SCHEMBL22384263

CCCCCCCOc1ccc(-c2cnc(-c3ccc(CC(CNC(=O)c4ccc(C(C)(C)C)cc4)C(=O)N[C@@H](CC(=O)OCc4ccccc4)C(=O)O)cc3)nc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 9/20 0.40
▸ ITGB3 P05106 5/20 0.40
▸ ITGA2B P08514 5/20 0.40
▸ ITGB1 P05556 1/20 0.40
▸ ITGA4 P13612 1/20 0.40
▸ PLG P00747 1/20 0.39
▸ MME P08473 1/20 0.39
▸ ECE1 P42892 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PPARA Q07869 1/20 0.38

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
SCHEMBL17968817 0.91 KLKB1 (0.46) PPARGITGB3ITGA2BITGB1ITGA4
SCHEMBL16306083 0.91 KLKB1 (0.46) PPARGITGB3ITGA2BITGB1ITGA4
SCHEMBL19485518 0.85 KLKB1 (0.46) PPARGITGB3ITGA2BITGB1ITGA4
SCHEMBL22384109 0.85 KLKB1 (0.46) PPARGITGB3ITGA2BITGB1ITGA4
SCHEMBL16305682 0.83 ITGB3 (0.53) PPARGITGB3ITGA2BITGB1ITGA4
SCHEMBL16306042 0.82 ITGB1 (0.43) ITGB3ITGA2BITGB1ITGA4PLG
SCHEMBL17968917 0.82 ITGB1 (0.43) ITGB3ITGA2BITGB1ITGA4PLG
SCHEMBL16305518 0.81 PLG (0.48) ITGB3ITGA2BITGB1ITGA4PLG
SCHEMBL22756208 0.81 PLG (0.43) PPARGITGB3ITGA2BITGB1ITGA4
SCHEMBL16305970 0.80 PLG (0.47) PPARGITGB3ITGA2BITGB1ITGA4

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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