SCHEMBL18557649

SCHEMBL18557649

C=CCCCC[C@@H](COC)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 11/20 0.43
▸ ACE P12821 3/20 0.41
▸ ELANE P08246 1/20 0.38
▸ ITGB3 P05106 1/20 0.37
▸ ITGA2B P08514 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ REN P00797 1/20 0.37
▸ KLK5 Q9Y337 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ PRSS1 P07477 1/20 0.37

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
SCHEMBL13829952 0.87 CMA1 (0.47) CMA1ACEELANERENF2
SCHEMBL16012277 0.86 ATM (0.35) CMA1ACEELANEITGB3ITGA2B
SCHEMBL16012278 0.86 ATM (0.35) CMA1ACEELANEITGB3ITGA2B
SCHEMBL8225015 0.83 ACE (0.49) CMA1ACEITGB3ITGA2BREN
SCHEMBL17364182 0.81 ALDH1A1 (0.33) RENKLK5
SCHEMBL16012027 0.81 ALDH1A1 (0.33) RENKLK5
SCHEMBL16011828 0.80 MEN1 (0.37) REN
SCHEMBL16011925 0.80 MEN1 (0.37) REN
SCHEMBL13830148 0.79 CMA1 (0.46) CMA1ACEELANERENF2
SCHEMBL8005012 0.77 ITGB3 (0.45) CMA1ACEITGB3ITGA2BKLK5

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
US-9580463-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-02-28 — — US disclosed
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