SCHEMBL7804414

SCHEMBL7804414

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.56
PEPD P12955 3/20 0.47
FKBP1A P62942 1/20 0.47
XPNPEP1 Q9NQW7 2/20 0.45
POLB P06746 1/20 0.43
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CMA1 P23946 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
CTSF Q9UBX1 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
KLK5 Q9Y337 1/20 0.38
STAT6 P42226 4/20 0.37
BIRC2 Q13490 3/20 0.37
XIAP P98170 1/20 0.37
BIRC3 Q13489 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
SCHEMBL13748696 1.00 ELANE (0.56) ELANEPEPDFKBP1AXPNPEP1POLB
SCHEMBL12055223 0.87 PEPD (0.49) ELANEPEPDFKBP1AXPNPEP1POLB
SCHEMBL8144172 0.86 ELANE (0.54) ELANEPEPDCTSVCTSLCTSB
SCHEMBL8253230 0.84 PEPD (0.51) ELANEPEPDFKBP1AXPNPEP1POLB
SCHEMBL14202917 0.84 KLK5 (0.51) ELANEPEPDFKBP1AXPNPEP1POLB
SCHEMBL8046113 0.84 KLK5 (0.51) ELANEPEPDFKBP1AXPNPEP1POLB
SCHEMBL8252703 0.83 PEPD (0.50) ELANEPEPDFKBP1AXPNPEP1POLB
SCHEMBL8274097 0.81 PEPD (0.45) ELANEPEPDFKBP1AXPNPEP1POLB
SCHEMBL26825564 0.81 PEPD (0.47) ELANEPEPDFKBP1AXPNPEP1POLB
SCHEMBL16313141 0.80 ELANE (0.42) ELANEPEPDFKBP1AXPNPEP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010138889-A1 PEPTIDES FOR THE TREATMENT OF HCV INFECTIONS CONCERT PHARMACEUTICALS, INC. (US) 2010-12-02 WO disclosed
WO-2006130628-A2 COMBINATION OF HCV PROTEASE INHIBITORS WITH A SURFACTANT SCHERING CORPORATION (US) 2006-12-07 WO disclosed