SCHEMBL8994840

SCHEMBL8994840

CCO[C@H]1C[C@@H](C)CC(C)(C)C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
NR1I2 O75469 1/20 0.38
ABCB11 O95342 1/20 0.38

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
SCHEMBL873371 1.00 MEN1 (0.45) MEN1KMT2ACTDSP1ALDH1A1CYP3A4
SCHEMBL1401483 1.00 MEN1 (0.45) MEN1KMT2ACTDSP1ALDH1A1CYP3A4
SCHEMBL1202215 1.00 MEN1 (0.45) MEN1KMT2ACTDSP1ALDH1A1CYP3A4
SCHEMBL1202221 1.00 MEN1 (0.45) MEN1KMT2ACTDSP1ALDH1A1CYP3A4
SCHEMBL14617333 0.82 MEN1 (0.42) MEN1KMT2ACTDSP1ALDH1A1CYP3A4
SCHEMBL21258202 0.82 MEN1 (0.42) MEN1KMT2ACTDSP1ALDH1A1CYP3A4
SCHEMBL21237763 0.79 MEN1 (0.49) MEN1KMT2ACTDSP1ALDH1A1CYP3A4
SCHEMBL8613489 0.78 LMNA (0.44) MEN1KMT2ACTDSP1ALDH1A1CYP3A4
SCHEMBL4442210 0.78 LMNA (0.44) MEN1KMT2ACTDSP1ALDH1A1CYP3A4
SCHEMBL28860155 0.78 MEN1 (0.33) MEN1KMT2ACTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5530164-A Process for the production of trans-3,3,5-trimethylcyclohexyl ethyl ether HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1996-06-25 US disclosed
EP-0549618-A1 METHOD FOR THE PREPARATION OF TRANS-3,3,5-TRIMETHYLCYCLOHEXYL ETHYL ETHER. HENKEL KGAA (DE) 1993-07-07 EP disclosed
WO-1992005136-A1 METHOD FOR THE PREPARATION OF TRANS-3,3,5-TRIMETHYLCYCLOHEXYL ETHYL ETHER HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1992-04-02 WO disclosed