SCHEMBL10770751

SCHEMBL10770751

C[C@H](NC(CCCCNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.54
▸ ITGA2B P08514 1/20 0.54
▸ ABCB1 P08183 1/20 0.53
▸ ACE P12821 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ DPP4 P27487 1/20 0.51
▸ DPP8 Q6V1X1 1/20 0.51
▸ DPP9 Q86TI2 1/20 0.51
▸ DPP7 Q9UHL4 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ KLK7 P49862 2/20 0.47
▸ KLK5 Q9Y337 2/20 0.47
▸ MAPT P10636 1/20 0.46
▸ PREP P48147 3/20 0.46
▸ FKBP1A P62942 1/20 0.45
▸ CMA1 P23946 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ ADORA2B P29275 1/20 0.44
▸ ADORA1 P30542 1/20 0.44

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
SCHEMBL5971737 0.88 ITGB3 (0.66) ITGB3ITGA2BABCB1ACEDPP4
SCHEMBL9225882 0.86 DPP4 (0.53) ITGB3ITGA2BABCB1ACEDPP4
SCHEMBL10619564 0.85 ITGB3 (0.63) ITGB3ITGA2BABCB1ACEDPP4
SCHEMBL7331201 0.85 ACE (0.68) ITGB3ITGA2BACELMNADPP4
SCHEMBL7331191 0.85 ACE (0.68) ITGB3ITGA2BACELMNADPP4
SCHEMBL7317534 0.85 ITGB3 (0.55) ITGB3ITGA2BABCB1DPP4DPP8
SCHEMBL11028854 0.85 ACE (0.73) ITGB3ITGA2BACELMNADPP4
SCHEMBL7325248 0.85 ACE (0.73) ITGB3ITGA2BACELMNADPP4
SCHEMBL7325241 0.85 ACE (0.73) ITGB3ITGA2BACELMNADPP4
SCHEMBL11028861 0.85 ACE (0.73) ITGB3ITGA2BACELMNADPP4

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-0237239-A2 New compounds THE WELLCOME FOUNDATION LIMITED (GB) 1987-09-16 — — EP disclosed
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