SCHEMBL1244541

SCHEMBL1244541

O[C@@H]1CCC[C@H](C2CCCC2)C1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
ALDH1A1 P00352 1/20 0.47
SLC18A3 Q16572 2/20 0.33
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31
DPP4 P27487 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
ALOX5 P09917 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
SCHEMBL1243107 1.00 TSHR (0.50) TSHRALDH1A1SLC18A3HSD17B10LMNA
SCHEMBL1245216 1.00 TSHR (0.50) TSHRALDH1A1SLC18A3HSD17B10LMNA
SCHEMBL1244540 1.00 TSHR (0.50) TSHRALDH1A1SLC18A3HSD17B10LMNA
SCHEMBL1245214 1.00 TSHR (0.50) TSHRALDH1A1SLC18A3HSD17B10LMNA
SCHEMBL787466 0.97 TSHR (0.47) TSHRALDH1A1SLC18A3HSD17B10
SCHEMBL18857214 0.97 TSHR (0.53) TSHRALDH1A1SLC18A3HSD17B10LMNA
SCHEMBL23916930 0.94 TSHR (0.47) TSHRALDH1A1HSD17B10LMNACYP2C9
SCHEMBL9815760 0.94 TSHR (0.47) TSHRALDH1A1HSD17B10LMNACYP2C9
SCHEMBL30758067 0.92 TSHR (0.47) TSHRALDH1A1SLC18A3ALOX5
SCHEMBL13434713 0.89 TSHR (0.45) TSHRALDH1A1

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 5 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 disclosed
WO-2011020909-A3 CIS-3-CYCLOPENTYLCYCLOHEXANOL AND ITS USE AS A FRAGRANCE INGREDIENT GIVAUDAN SA (CH) 2011-06-23 WO disclosed
WO-2011020909-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2011-02-24 WO disclosed
WO-2011020909-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2011-02-24 WO disclosed
WO-2011020909-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2011-02-24 WO disclosed