SCHEMBL21742988

SCHEMBL21742988

CC(C)(P)C(C)(C)OBc1ccc(F)cc1F

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL14767324 0.75 — —
SCHEMBL14767322 0.73 — —
SCHEMBL13548406 0.71 — —
SCHEMBL23638849 0.68 PPARG (0.33) ALDH1A1
SCHEMBL22924380 0.68 PDE2A (0.30) —
SCHEMBL14824906 0.66 — —
SCHEMBL14566097 0.65 ALDH1A1 (0.42) ALDH1A1
SCHEMBL22238915 0.65 ADRA2A (0.33) —
SCHEMBL14866346 0.65 AR (0.33) —
SCHEMBL1241955 0.65 CES2 (0.44) ALDH1A1

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-2020035560-A1 1-METHYL-4-[(4-PHENYLPHENYL)SULFONYLMETHYL]CYCLOHEXYANOL AND 1-METHYL-4-[[4-(2-PYRIDYL)PHENYL]SULFONYLMETHYL]CYCLOHEXANOL COMPOUNDS AND THEIR THERAPEUTIC USE Modern Biosciences Limited (GB) 2020-02-20 — — WO disclosed
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