SCHEMBL22384155

SCHEMBL22384155

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.35
▸ ITGA2B P08514 1/20 0.35
▸ RARB P10826 3/20 0.35
▸ ENPP2 Q13822 3/20 0.35
▸ PPARG P37231 3/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ S1PR4 O95977 5/20 0.34
▸ S1PR1 P21453 5/20 0.34
▸ S1PR3 Q99500 5/20 0.34
▸ S1PR5 Q9H228 4/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ITGB1 P05556 2/20 0.34
▸ ITGA4 P13612 2/20 0.34
▸ ACACB O00763 1/20 0.33

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
SCHEMBL22384107 0.89 RARB (0.39) ITGB3ITGA2BRARBENPP2PPARG
SCHEMBL16305646 0.87 PLG (0.41) ITGB3ITGA2BPPARGITGB1ITGA4
SCHEMBL20900623 0.87 ITGB3 (0.37) ITGB3ITGA2BRARBENPP2PPARG
SCHEMBL22756173 0.86 PPARG (0.42) ITGB3ITGA2BRARBENPP2PPARG
SCHEMBL20900636 0.86 ITGB3 (0.41) ITGB3ITGA2BRARBPPARGPPARA
SCHEMBL22384279 0.84 ITGB1 (0.44) ITGB3ITGA2BENPP2PPARGITGB1
SCHEMBL22384044 0.84 PPARG (0.35) ITGB3ITGA2BRARBENPP2PPARG
SCHEMBL20426081 0.84 ITGB3 (0.43) ITGB3ITGA2BPPARGPPARAITGB1
SCHEMBL20427250 0.84 ENPP2 (0.36) ITGB3ITGA2BRARBENPP2PPARG
SCHEMBL19806837 0.84 PPARG (0.36) ITGB3ITGA2BENPP2PPARGPPARA

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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