SCHEMBL22384107

SCHEMBL22384107

CCCCCCCCOc1ccc(-c2cnc(-c3ccc(C[C@H](NC(=O)c4ccc(C(C)(C)C)s4)C(O)O)cc3)nc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 3/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ PPARG P37231 3/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ S1PR4 O95977 6/20 0.39
▸ S1PR1 P21453 6/20 0.39
▸ S1PR3 Q99500 6/20 0.39
▸ S1PR5 Q9H228 5/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ENPP2 Q13822 3/20 0.38
▸ ITGB1 P05556 2/20 0.38
▸ ITGA4 P13612 2/20 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
SCHEMBL20900623 0.90 ITGB3 (0.37) RARBITGB3ITGA2BPPARGPPARA
SCHEMBL22384162 0.90 ITGB1 (0.39) RARBITGB3ITGA2BPPARGPPARA
SCHEMBL22756228 0.89 ITGB3 (0.40) RARBITGB3ITGA2BPPARGPPARA
SCHEMBL20900636 0.89 ITGB3 (0.41) RARBITGB3ITGA2BPPARGPPARA
SCHEMBL22384155 0.89 ITGB3 (0.35) RARBITGB3ITGA2BPPARGPPARA
SCHEMBL22756173 0.89 PPARG (0.42) RARBITGB3ITGA2BPPARGPPARA
SCHEMBL22449249 0.89 ITGB3 (0.51) RARBITGB3ITGA2BPPARGPPARA
SCHEMBL22449298 0.89 ITGB3 (0.51) RARBITGB3ITGA2BPPARGPPARA
SCHEMBL22449285 0.89 ITGB3 (0.51) RARBITGB3ITGA2BPPARGPPARA
SCHEMBL15037035 0.89 ITGB3 (0.51) RARBITGB3ITGA2BPPARGPPARA

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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