SCHEMBL22384044

SCHEMBL22384044

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ ACACB O00763 1/20 0.34
▸ ENPP2 Q13822 4/20 0.34
▸ RARB P10826 3/20 0.34
▸ S1PR4 O95977 4/20 0.34
▸ S1PR1 P21453 4/20 0.34
▸ S1PR3 Q99500 4/20 0.34
▸ S1PR5 Q9H228 3/20 0.34
▸ XIAP P98170 1/20 0.34
▸ ITGB1 P05556 1/20 0.33
▸ ITGA4 P13612 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 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
SCHEMBL19806837 0.90 PPARG (0.36) PPARGPPARAITGB3ITGA2BACACB
SCHEMBL22756173 0.89 PPARG (0.42) PPARGPPARAITGB3ITGA2BACACB
SCHEMBL22384107 0.88 RARB (0.39) PPARGPPARAITGB3ITGA2BENPP2
SCHEMBL20900636 0.87 ITGB3 (0.41) PPARGPPARAITGB3ITGA2BRARB
SCHEMBL16305636 0.87 ITGB1 (0.38) PPARGPPARAITGB3ITGA2BXIAP
SCHEMBL15096428 0.87 ITGB1 (0.41) PPARGPPARAITGB3ITGA2BRARB
SCHEMBL20427208 0.86 PPARG (0.40) PPARGPPARAITGB3ITGA2BACACB
SCHEMBL22384279 0.86 ITGB1 (0.44) PPARGITGB3ITGA2BENPP2ITGB1
SCHEMBL20900623 0.86 ITGB3 (0.37) PPARGPPARAITGB3ITGA2BENPP2
SCHEMBL20426081 0.85 ITGB3 (0.43) PPARGPPARAITGB3ITGA2BITGB1

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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