SCHEMBL29508408

SCHEMBL29508408

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.47
CTSS P25774 6/20 0.47
CA1 P00915 2/20 0.47
CA7 P43166 2/20 0.47
CA2 P00918 1/20 0.47
CYP2D6 P10635 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
CA12 O43570 1/20 0.38
CA14 Q9ULX7 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
SCHEMBL13605079 0.86 CA1 (0.53) CTSKCTSSCA1CA7CA2
SCHEMBL24427425 0.86 CA1 (0.53) CTSKCTSSCA1CA7CA2
SCHEMBL25985137 0.85 CTSK (0.50) CTSKCTSSCA1CA7CA2
SCHEMBL28668065 0.85 CTSK (0.50) CTSKCTSSCA1CA7CA2
SCHEMBL28668062 0.85 CTSK (0.50) CTSKCTSSCA1CA7CA2
SCHEMBL3685399 0.85 CA1 (0.47) CTSKCTSSCA1CA7CA2
SCHEMBL14496991 0.85 CA1 (0.47) CTSKCTSSCA1CA7CA2
SCHEMBL23925023 0.85 CA1 (0.47) CTSKCTSSCA1CA7CA2
SCHEMBL12330001 0.83 CTSK (0.46) CTSKCTSSCA1CA7CA2
SCHEMBL23924838 0.82 CA1 (0.42) CTSKCTSSCA1CA7CA2

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
EP-3980415-A1 N-1 BRANCHED ALKYL SUBSTITUTED IMIDAZO[4,5-C]QUINOLINE COMPOUNDS, COMPOSITIONS, AND METHODS 3M Innovative Properties Company (US) 2022-04-13 EP disclosed