SCHEMBL22384093

SCHEMBL22384093

COc1ccc(-c2cnc(-c3ccc(C[C@H](NC(=O)OCc4ccccc4)C(=O)OC(C)(C)C)cc3)nc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.51
▸ ITGB3 P05106 6/20 0.50
▸ ITGA2B P08514 6/20 0.50
▸ BCL2 P10415 1/20 0.49
▸ ITGA4 P13612 1/20 0.48
▸ ITGB7 P26010 1/20 0.48
▸ CTSS P25774 2/20 0.48
▸ CTSK P43235 2/20 0.48
▸ CTSL P07711 1/20 0.48
▸ ATM Q13315 1/20 0.47
▸ F2 P00734 1/20 0.47
▸ PTPN1 P18031 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ ALOX15 P16050 1/20 0.46

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
SCHEMBL15091844 0.90 TACR1 (0.48) ITGB3ITGA2BBCL2ITGA4ITGB7
SCHEMBL15037243 0.90 TACR1 (0.48) ITGB3ITGA2BBCL2ITGA4ITGB7
SCHEMBL25320494 0.89 HDAC8 (0.58) HDAC8ITGB3ITGA2BITGA4ITGB7
SCHEMBL15037032 0.88 ITGB3 (0.54) ITGB3ITGA2BBCL2CTSSCTSK
SCHEMBL15091950 0.88 ITGB3 (0.54) ITGB3ITGA2BBCL2CTSSCTSK
SCHEMBL15019911 0.87 ITGB3 (0.48) ITGB3ITGA2BBCL2ITGA4ITGB7
SCHEMBL15019914 0.87 ITGB3 (0.48) ITGB3ITGA2BBCL2ITGA4ITGB7
SCHEMBL22384149 0.85 EPHX1 (0.44) ITGB3ITGA2BBCL2CTSSCTSK
SCHEMBL14190632 0.84 ITGB3 (0.52) HDAC8ITGB3ITGA2BBCL2ITGA4
SCHEMBL17834702 0.83 ITGB3 (0.42) ITGB3ITGA2BBCL2CTSSCTSK

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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