SCHEMBL3125029

SCHEMBL3125029

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)OC(=O)CN

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 4/20 0.50
▸ CTSS P25774 2/20 0.50
▸ CA2 P00918 2/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CTSL P07711 2/20 0.43
▸ CTSB P07858 1/20 0.43
▸ PREP P48147 1/20 0.41
▸ TRPA1 O75762 2/20 0.40
▸ PSENEN Q9NZ42 1/20 0.40
▸ KLK5 Q9Y337 1/20 0.40
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL28490772 1.00 CTSK (0.50) CTSKCTSSCA2CA1CA7
SCHEMBL28195152 0.88 CTSK (0.52) CTSKCTSSCA2CA1CA7
SCHEMBL9727285 0.85 CTSK (0.55) CTSKCTSSCA2CA1CA7
SCHEMBL13708869 0.85 CYP2D6 (0.52) CTSKCTSSCA2CA1CA7
SCHEMBL21509312 0.81 CTSK (0.51) CTSKCTSSCA2CA1CA7
SCHEMBL23260554 0.80 CTSK (0.57) CTSKCTSSCA2CA1CA7
SCHEMBL24097648 0.80 CTSK (0.51) CTSKCTSSCA2CA1CA7
SCHEMBL9451172 0.79 CTSK (0.52) CTSKCTSSCA2CA1CA7
SCHEMBL21444852 0.79 CTSK (0.53) CTSKCTSSCA2CA1CA7
SCHEMBL30859159 0.79 CTSK (0.50) CTSKCTSSCA2CA1CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2147925-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2010-01-27 — — EP disclosed
EP-1656390-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2006-05-17 — — EP disclosed
WO-2005000878-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2005-01-06 — — WO disclosed
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