SCHEMBL29059461

SCHEMBL29059461

CC1(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)CCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.43
CTSS P25774 7/20 0.43
CTSL P07711 2/20 0.42
PPARA Q07869 7/20 0.41
PPARG P37231 6/20 0.41
IDO1 P14902 1/20 0.41
CTSB P07858 1/20 0.41
ACE P12821 1/20 0.41
PPARD Q03181 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39

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
SCHEMBL2364175 1.00 CTSK (0.43) CTSKCTSSCTSLPPARAPPARG
SCHEMBL2364176 1.00 CTSK (0.43) CTSKCTSSCTSLPPARAPPARG
SCHEMBL1963143 0.97 CTSK (0.43) CTSKCTSSCTSLPPARAPPARG
SCHEMBL2364166 0.97 CTSK (0.43) CTSKCTSSCTSLPPARAPPARG
SCHEMBL3613122 0.96 CTSK (0.43) CTSKCTSSCTSLPPARAPPARG
SCHEMBL8265511 0.96 CTSK (0.43) CTSKCTSSCTSLPPARAPPARG
SCHEMBL22636135 0.94 CTSS (0.44) CTSKCTSSCTSLPPARAPPARG
SCHEMBL22636134 0.94 CTSS (0.44) CTSKCTSSCTSLPPARAPPARG
SCHEMBL6819730 0.94 CTSS (0.44) CTSKCTSSCTSLPPARAPPARG
SCHEMBL24324161 0.88 NFKB1 (0.43) CTSKCTSSCTSLCTSBCA1

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
CN-116601158-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-15 CN disclosed