SCHEMBL8280783

SCHEMBL8280783

C#CCCC(NC(=O)[C@@H]1C2[C@H](CN1C(=O)[C@@H](N)C1(C)CCCCC1)C2(C)C)C(=O)C(=O)NCC=C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 1/20 0.38
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ ELANE P08246 1/20 0.38
▸ CMA1 P23946 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ CTSF Q9UBX1 1/20 0.38
▸ LGMN Q99538 1/20 0.33

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
SCHEMBL13817720 1.00 CTSV (0.38) CTSVCTSLCTSBELANECMA1
SCHEMBL14595892 1.00 CTSV (0.38) CTSVCTSLCTSBELANECMA1
SCHEMBL14595896 0.90 CTSV (0.40) CTSVCTSLCTSBELANECMA1
SCHEMBL8280126 0.90 CTSV (0.40) CTSVCTSLCTSBELANECMA1
SCHEMBL8252702 0.89 CTSV (0.39) CTSVCTSLCTSBELANECMA1
SCHEMBL14595897 0.89 CTSV (0.39) CTSVCTSLCTSBELANECMA1
SCHEMBL8243737 0.89 CTSV (0.39) CTSVCTSLCTSBELANECMA1
SCHEMBL14279155 0.89 DPP4 (0.32) —
SCHEMBL8280125 0.88 CTSV (0.42) CTSVCTSLCTSBELANECMA1
SCHEMBL8257681 0.88 CTSV (0.41) CTSVCTSLCTSBELANECMA1

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
EP-1730110-B1 SULFUR COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORP (US) 2010-06-09 — — EP disclosed
WO-2005087731-A1 SULFUR COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-09-22 — — WO disclosed
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