SCHEMBL8249903

SCHEMBL8249903

C#CCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(N)=O)C(C)(C)C)C(=O)C(=O)NCC=C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.35
▸ CASP4 P49662 1/20 0.35
▸ CASP5 P51878 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ CASP9 P55211 1/20 0.35
▸ CASP8 Q14790 1/20 0.35
▸ CASP10 Q92851 1/20 0.35
▸ ELANE P08246 3/20 0.35
▸ CTSV O60911 1/20 0.35
▸ CTSL P07711 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ CMA1 P23946 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ CTSF Q9UBX1 1/20 0.35
▸ NR1I2 O75469 3/20 0.34
▸ OPRM1 P35372 1/20 0.34

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
SCHEMBL8279959 0.93 CASP1 (0.36) CASP1CASP4CASP5CASP7CASP9
SCHEMBL8246714 0.90 ELANE (0.37) CASP1CASP4CASP5CASP7CASP9
SCHEMBL16313124 0.90 CMA1 (0.40) CMA1NR1I2
SCHEMBL8240611 0.89 DPP4 (0.38) CMA1OPRM1
SCHEMBL8250731 0.88 ELANE (0.36) CASP1CASP4CASP5CASP7CASP9
SCHEMBL8252293 0.87 ELANE (0.36) ELANECTSVCTSLCTSBCMA1
SCHEMBL8247468 0.86 ELANE (0.43) CASP1CASP4CASP5CASP7CASP9
SCHEMBL12601266 0.86 ELANE (0.46) CASP1CASP4CASP5CASP7CASP9
SCHEMBL8254539 0.84 CTSB (0.44) ELANECTSVCTSLCTSBCMA1
SCHEMBL12143755 0.83 NR1I2 (0.35) CASP1CASP4CASP5CASP7CASP9

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-2006130686-A2 HCV PROTEASE INHIBITORS IN COMBINATION WITH FOOD SCHERING CORPORATION (US) 2006-12-07 — — WO disclosed
WO-2006130607-A2 CONTROLLED-RELEASE FORMULATION USEFUL FOR TREATING DISORDERS ASSOCIATED WITH HEPATITIS C VIRUS SCHERING CORPORATION (US) 2006-12-07 — — WO disclosed
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