SCHEMBL4605879

SCHEMBL4605879

CCOC(C)(CC)CCCC(C)C

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.32

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
SCHEMBL11552753 0.85 MAPK1 (0.37)
SCHEMBL10339783 0.84 MEN1 (0.39) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL11556206 0.83
SCHEMBL17580416 0.80 MEN1 (0.43) MEN1CYP3A4ALOX15KMT2A
SCHEMBL9756530 0.80 MEN1 (0.37) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL217161 0.80 TSHR (0.33) MEN1CYP3A4ALOX15KMT2A
SCHEMBL27176371 0.79 MEN1 (0.50) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL28049092 0.79 MEN1 (0.39) MEN1CYP3A4ALOX15KMT2A
SCHEMBL30098503 0.79 MEN1 (0.50) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL29432863 0.79

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
EP-1347035-B1 Isomer composition containing optically active ethyl trans-2,2,6-trimethylcyclohexylcarboxylate and fragrance composition containing the isomer composition TAKASAGO PERFUMERY CO LTD (JP) 2008-07-23 EP disclosed
EP-1347036-B1 Isomer composition excellent in chemical resistance containing optically active trans-1(2,2,6-trimethylcyclohexyl)-2-buten-1-one and fragrance composition containing the isomer composition TAKASAGO PERFUMERY CO LTD (JP) 2008-06-25 EP disclosed
US-6930083-B2 Isomer composition excellent in chemical resistance containing optically active trans-1-(2,2,6-trimethylcyclohexyl)-2-buten-1-one and fragrance compositions containing the isomer composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-08-16 US disclosed
EP-1347036-A2 Isomer composition excellent in chemical resistance containing optically active trans-1(2,2,6-trimethylcyclohexyl)-2-buten-1-one and fragrance composition containing the isomer composition Takasago International Corporation (JP) 2003-09-24 EP disclosed
EP-1347035-A2 Isomer composition containing optically active ethyl trans-2,2,6-trimethylcyclohexylcarboxylate and fragrance composition containing the isomer composition Takasago International Corporation (JP) 2003-09-24 EP disclosed