SCHEMBL22384109

SCHEMBL22384109

CCCCCCCOc1ccc(-c2cnc(-c3ccc(CC(NC(=O)c4ccc(C(C)(C)C)cc4)C(=O)NC(CC(=O)OCc4ccccc4)C(=O)OC(C)(C)C)cc3)nc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 4/20 0.46
▸ PLG P00747 1/20 0.44
▸ ITGB1 P05556 1/20 0.42
▸ ITGA4 P13612 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ BCL2 P10415 1/20 0.40
▸ ITGB3 P05106 6/20 0.40
▸ ITGA2B P08514 6/20 0.40
▸ GAA P10253 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PPARG P37231 2/20 0.39
▸ PPARA Q07869 1/20 0.39

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
SCHEMBL19485518 1.00 KLKB1 (0.46) KLKB1PLGITGB1ITGA4L3MBTL1
SCHEMBL16306083 0.94 KLKB1 (0.46) KLKB1PLGITGB1ITGA4L3MBTL1
SCHEMBL17968817 0.94 KLKB1 (0.46) KLKB1PLGITGB1ITGA4L3MBTL1
SCHEMBL16306088 0.94 KLKB1 (0.43) KLKB1PLGITGB1ITGA4L3MBTL1
SCHEMBL17995088 0.94 KLKB1 (0.43) KLKB1PLGITGB1ITGA4L3MBTL1
SCHEMBL16295002 0.91 KLKB1 (0.45) KLKB1PLGITGB1ITGA4L3MBTL1
SCHEMBL16294999 0.91 KLKB1 (0.45) KLKB1PLGITGB1ITGA4L3MBTL1
SCHEMBL22384280 0.91 ITGB3 (0.42) KLKB1ITGB1ITGA4BCL2ITGB3
SCHEMBL22384069 0.90 KLKB1 (0.41) KLKB1PLGITGB1ITGA4BCL2
SCHEMBL19485472 0.90 KLKB1 (0.41) KLKB1PLGITGB1ITGA4BCL2

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 2 patents. 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
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 — — EP disclosed
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