SCHEMBL29059455

SCHEMBL29059455

CC(C)(C[C@H](CO)CC1CC1)NC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ GRN P28799 1/20 0.30
▸ SORT1 Q99523 1/20 0.30

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
SCHEMBL28772124 0.86 MAPT (0.31) —
SCHEMBL29214281 0.76 CTSS (0.32) CTSSCTSK
SCHEMBL28657034 0.76 CTSS (0.32) CTSSCTSK
SCHEMBL28646703 0.75 — —
SCHEMBL29214279 0.73 CTSS (0.30) CTSSCTSK
SCHEMBL28967225 0.71 ALOX15 (0.39) —
SCHEMBL28596003 0.70 CYP2D6 (0.30) —
SCHEMBL15562350 0.70 CYP2D6 (0.32) —
SCHEMBL29130087 0.70 CYP2D6 (0.32) —
SCHEMBL29059253 0.70 CYP2D6 (0.32) —

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
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