SCHEMBL22756206

SCHEMBL22756206

CNC(Cc1ccc(-c2ncc(-c3ccc(OCCCCC(C)C)cc3)cn2)cc1)C(=O)NCCC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 1/20 0.42
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA4 P22748 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ MMP1 P03956 2/20 0.35
▸ BCL2 P10415 1/20 0.35
▸ PSMB5 P28074 1/20 0.35
▸ SUCNR1 Q9BXA5 4/20 0.35
▸ PTPN1 P18031 2/20 0.35
▸ PTPN22 Q9Y2R2 1/20 0.35
▸ PPARG P37231 2/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ PPARA Q07869 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
SCHEMBL16305639 0.89 L3MBTL1 (0.41) RARBITGB3ITGA2BCTSSCTSK
SCHEMBL22384056 0.89 L3MBTL1 (0.41) RARBITGB3ITGA2BCTSSCTSK
SCHEMBL22384114 0.85 CTSS (0.44) CTSSCTSKBCL2
SCHEMBL22756160 0.85 PSMB5 (0.39) ITGB3ITGA2BCTSSCTSKBCL2
SCHEMBL22384055 0.84 L3MBTL1 (0.42) ITGB3ITGA2BCTSSCTSKBCL2
SCHEMBL22756131 0.82 CTSS (0.42) CTSSCTSKBCL2PSMB5PTPN1
SCHEMBL16294773 0.80 GCGR (0.48) RARBITGB3ITGA2BCTSSCTSK
SCHEMBL16294771 0.80 GCGR (0.48) RARBITGB3ITGA2BCTSSCTSK
SCHEMBL17834389 0.78 RARB (0.39) RARBITGB3ITGA2BSUCNR1
SCHEMBL16305939 0.78 GCGR (0.48) CTSSCTSK

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-3008056-B1 NOVEL GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-12-09 — — EP disclosed
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