SCHEMBL22384179

SCHEMBL22384179

CCCCCCCOc1ccc(-c2cnc(-c3ccc(C[C@H](NC(=O)c4ccc(C(C)(C)C)s4)C(O)NC(CCS(C)(=O)=O)C(=O)O)cc3)nc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 10/20 0.40
▸ ITGA2B P08514 10/20 0.40
▸ ITGB1 P05556 4/20 0.37
▸ ITGA4 P13612 4/20 0.37
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ ITGAV P06756 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ PPARG P37231 2/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ S1PR1 P21453 1/20 0.34
▸ RARB P10826 1/20 0.34

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
SCHEMBL20426081 0.93 ITGB3 (0.43) ITGB3ITGA2BITGB1ITGA4CYP3A4
SCHEMBL20426113 0.92 ITGB3 (0.45) ITGB3ITGA2BITGB1ITGA4CYP3A4
SCHEMBL20900636 0.92 ITGB3 (0.41) ITGB3ITGA2BITGB1ITGA4CYP3A4
SCHEMBL22384279 0.91 ITGB1 (0.44) ITGB3ITGA2BITGB1ITGA4CYP3A4
SCHEMBL16305830 0.89 ITGB3 (0.43) ITGB3ITGA2BITGB1ITGA4ITGAV
SCHEMBL22756173 0.88 PPARG (0.42) ITGB3ITGA2BITGB1ITGA4PPARG
SCHEMBL20900623 0.86 ITGB3 (0.37) ITGB3ITGA2BITGB1ITGA4PPARG
SCHEMBL19806837 0.86 PPARG (0.36) ITGB3ITGA2BITGB1ITGA4PPARG
SCHEMBL20900618 0.85 ITGB1 (0.38) ITGB3ITGA2BITGB1ITGA4PPARG
SCHEMBL20900638 0.85 ITGB3 (0.36) ITGB3ITGA2BITGB1ITGA4ITGAV

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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