SCHEMBL28853236

SCHEMBL28853236

COC(=O)C1CCCN1C(=O)C(C)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.53
PEPD P12955 2/20 0.48
XPNPEP1 Q9NQW7 1/20 0.48
FKBP1A P62942 1/20 0.45
POLB P06746 1/20 0.44
CMA1 P23946 7/20 0.44
ACE P12821 1/20 0.42
PREP P48147 2/20 0.42
FAP Q12884 1/20 0.42
KMT2A Q03164 1/20 0.40
ELANE P08246 1/20 0.40
CTSL P07711 2/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL28719311 1.00 KLK5 (0.53) KLK5PEPDXPNPEP1FKBP1APOLB
SCHEMBL14235323 1.00 KLK5 (0.53) KLK5PEPDXPNPEP1FKBP1APOLB
SCHEMBL17348390 1.00 KLK5 (0.53) KLK5PEPDXPNPEP1FKBP1APOLB
SCHEMBL7311829 1.00 KLK5 (0.53) KLK5PEPDXPNPEP1FKBP1APOLB
SCHEMBL12658515 0.95 KLK5 (0.52) KLK5PEPDXPNPEP1FKBP1APOLB
SCHEMBL30406562 0.93 KLK5 (0.46) KLK5PEPDXPNPEP1POLBCMA1
SCHEMBL15692884 0.89 PEPD (0.49) KLK5PEPDXPNPEP1FKBP1APOLB
SCHEMBL7316962 0.89 CMA1 (0.51) KLK5PEPDXPNPEP1CMA1ELANE
SCHEMBL8352620 0.89 CMA1 (0.51) KLK5PEPDXPNPEP1CMA1ELANE
SCHEMBL8168154 0.89 CMA1 (0.51) KLK5PEPDXPNPEP1CMA1ELANE

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
CN-104363756-B Agricultural plant-protecting agent containing dipeptide derivative as active ingredient 农村振兴厅 2017-10-31 CN disclosed