SCHEMBL1153850

SCHEMBL1153850

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.31
METAP1 P53582 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
SCHEMBL1153057 1.00 CYP2C9 (0.33) CYP2C9ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL1153058 1.00 CYP2C9 (0.33) CYP2C9ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL1153056 1.00 CYP2C9 (0.33) CYP2C9ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL1153848 1.00 CYP2C9 (0.33) CYP2C9ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL31315044 0.85 SIGMAR1 (0.33) CYP1A2LMNA
SCHEMBL21633940 0.81 NPC1 (0.38) ALDH1A1GAARAB9ASMN1; SMN2LMNA
SCHEMBL27401549 0.81 LMNA (0.32) CYP2C9LMNA
SCHEMBL1524887 0.80
SCHEMBL21634067 0.80 ALDH1A1 (0.33) CYP2C9ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL24448809 0.79 LMNA (0.33) CYP2C9LMNA

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
US-7884065-B2 perfumes having rose and geranium notes SYMRISE AG (DE) 2011-02-08 US disclosed
US-20100130397-A1 4-Isoamylcyclohexanol as Odiferant SYMRISE GMBH & CO. KG (DE) 2010-05-27 US disclosed
EP-1797025-B1 4-ISOAMYLCYCLOHEXANOL AS ODIFERANT SYMRISE GMBH & CO KG (DE) 2008-08-13 EP disclosed
EP-1797025-A1 4-ISOAMYLCYCLOHEXANOL AS ODIFERANT Symrise GmbH & Co. KG (DE) 2007-06-20 EP disclosed
WO-2006035010-A1 4-ISOAMYLCYCLOHEXANOL AS ODIFERANT SYMRISE GMBH & CO. KG (DE) 2006-04-06 WO disclosed