SCHEMBL8227722

SCHEMBL8227722

CC(C)(C)C(Nc1nc(-c2ccccc2)cs1)C(=O)N1CC2(CC1C(=O)NC(CC1CCC1)C(=O)C(N)=O)CC2(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 2/20 0.42
▸ CTSV O60911 1/20 0.42
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ ELANE P08246 1/20 0.42
▸ CMA1 P23946 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ CTSF Q9UBX1 1/20 0.42
▸ CNR2 P34972 1/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PDF Q9HBH1 1/20 0.34
▸ NPC1 O15118 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
SCHEMBL11930157 1.00 CTSK (0.42) CTSKCTSVCTSLCTSBELANE
SCHEMBL8220129 0.89 CTSV (0.44) CTSKCTSVCTSLCTSBELANE
SCHEMBL11930156 0.89 CTSV (0.44) CTSKCTSVCTSLCTSBELANE
SCHEMBL8225467 0.88 CTSV (0.45) CTSKCTSVCTSLCTSBELANE
SCHEMBL8228348 0.88 CTSB (0.40) CTSKCTSVCTSLCTSBELANE
SCHEMBL11936553 0.88 CTSB (0.40) CTSKCTSVCTSLCTSBELANE
SCHEMBL8219312 0.86 CTSK (0.41) CTSKCTSVCTSLCTSBELANE
SCHEMBL13559977 0.86 CTSV (0.43) CTSKCTSVCTSLCTSBELANE
SCHEMBL11938018 0.86 CTSV (0.43) CTSKCTSVCTSLCTSBELANE
SCHEMBL11936782 0.86 CTSK (0.41) CTSKCTSVCTSLCTSBELANE

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-2007133865-A2 HCV/HIV INHIBITORS AN THEIR USES NOVARTIS AG (CH) 2007-11-22 — — WO disclosed
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