SCHEMBL8274097

SCHEMBL8274097

COC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PEPD P12955 2/20 0.45
FKBP1A P62942 1/20 0.44
XPNPEP1 Q9NQW7 1/20 0.42
POLB P06746 1/20 0.41
ELANE P08246 2/20 0.40
KLK5 Q9Y337 1/20 0.39
STAT6 P42226 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
SCHEMBL8251782 0.89 STAT6 (0.41) ELANESTAT6
SCHEMBL8273010 0.89 ACE (0.44) PEPDELANE
SCHEMBL12055223 0.89 PEPD (0.49) PEPDFKBP1AXPNPEP1POLBELANE
SCHEMBL13960895 0.88 ELANE (0.40) ELANESTAT6
SCHEMBL8133784 0.88 ELANE (0.40) ELANESTAT6
SCHEMBL8274139 0.88 ELANE (0.40) ELANESTAT6
SCHEMBL12676948 0.87 ELANE (0.43) ELANE
SCHEMBL14202917 0.85 KLK5 (0.51) PEPDFKBP1AXPNPEP1POLBELANE
SCHEMBL8046113 0.85 KLK5 (0.51) PEPDFKBP1AXPNPEP1POLBELANE
SCHEMBL8169782 0.84 DPP4 (0.43) PEPDFKBP1AXPNPEP1POLBELANE

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
WO-2006020276-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-02-23 WO disclosed