SCHEMBL7288661

SCHEMBL7288661

CC(C)(C)OC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 10/20 0.58
▸ ITGA2B P08514 10/20 0.58
▸ F2 P00734 1/20 0.44
▸ PRSS1 P07477 1/20 0.44
▸ ACE P12821 2/20 0.44
▸ DPP4 P27487 1/20 0.43
▸ DPP8 Q6V1X1 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ KLK5 Q9Y337 1/20 0.42
▸ PEPD P12955 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41

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
SCHEMBL7313646 1.00 ITGB3 (0.58) ITGB3ITGA2BF2PRSS1ACE
SCHEMBL7286797 0.92 ITGB3 (0.60) ITGB3ITGA2BACE
SCHEMBL9041411 0.92 ITGB3 (0.60) ITGB3ITGA2BACE
SCHEMBL7323333 0.89 ITGB3 (0.49) ITGB3ITGA2BACE
SCHEMBL9041150 0.88 ITGB3 (0.56) ITGB3ITGA2BF2PRSS1ACE
Methanesulfonamide SCHEMBL11103046 0.87 ITGB3 (0.56) ITGB3ITGA2BACE
SCHEMBL8254962 0.84 CTSK (0.50) ITGB3ITGA2BF2PRSS1ACE
SCHEMBL7310228 0.84 ITGB3 (0.49) ITGB3ITGA2BACEKLK5PEPD
SCHEMBL4905274 0.83 DPP4 (0.59) ITGB3ITGA2BDPP4DPP8
SCHEMBL8661714 0.83 DPP7 (0.56) DPP4DPP8PEPD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0266568-A2 Novel gamma-butyrolactone derivatives SS PHARMACEUTICAL CO., LTD. (JP) 1988-05-11 — — EP disclosed
EP-0084941-B1 AMIDE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-03-11 — — EP disclosed
EP-0084941-A1 Amide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-08-03 — — EP disclosed
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