SCHEMBL31602245

SCHEMBL31602245

CCC(=O)OCC(=O)O[C@H]1CC(C)(C)CCC[C@@H]1C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
CYP19A1 P11511 1/20 0.36
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 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
SCHEMBL30987437 1.00 CHRM2 (0.36) CHRM2CHRM4CHRM1CHRM3CYP19A1
SCHEMBL30987473 1.00 CHRM2 (0.36) CHRM2CHRM4CHRM1CHRM3CYP19A1
SCHEMBL28655508 1.00 CHRM2 (0.36) CHRM2CHRM4CHRM1CHRM3CYP19A1
SCHEMBL2171740 0.90 CHRM2 (0.43) CHRM2CHRM4CHRM1CHRM3CYP19A1
SCHEMBL22122815 0.86 ALDH1A1 (0.34) CYP19A1ALDH1A1L3MBTL1HPGD
SCHEMBL2170242 0.82 SLC18A3 (0.36) CHRM2CHRM4CHRM1CHRM3CYP19A1
SCHEMBL22122699 0.78 CYP19A1 (0.35) CYP19A1
SCHEMBL2172992 0.76 CHRM2 (0.39) CHRM2CHRM4CHRM1CHRM3
SCHEMBL23587545 0.76 CHRM2 (0.51) CHRM2CHRM4CHRM1CHRM3CYP19A1
SCHEMBL5526607 0.76 CHRM2 (0.51) CHRM2CHRM4CHRM1CHRM3CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025108540-A1 5-METHYLCYCLOHEXANOLS AND DERIVATIVES AS FRAGRANCES SYMRISE AG (DE) 2025-05-30 WO claimed
WO-2025108540-A1 5-METHYLCYCLOHEXANOLS AND DERIVATIVES AS FRAGRANCES SYMRISE AG (DE) 2025-05-30 WO disclosed