SCHEMBL11236136

SCHEMBL11236136

CC(=O)OCC1C(C)C=C(C)CC1C

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 2/20 0.61
APOBEC3G Q9HC16 2/20 0.61
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
PABPC1 P11940 1/20 0.37
ALOX15 P16050 1/20 0.37
CTNNB1 P35222 1/20 0.37
NLRP3 Q96P20 2/20 0.36
HSD17B10 Q99714 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
AR P10275 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
SCHEMBL21001041 0.80 APOBEC3A (0.45) APOBEC3AAPOBEC3GALDH1A1LMNAPOLB
SCHEMBL15129812 0.78 APOBEC3A (0.48) APOBEC3AAPOBEC3GALDH1A1LMNAPOLB
SCHEMBL1472554 0.74 ALOX15 (0.37) APOBEC3AAPOBEC3GALDH1A1LMNAPOLB
SCHEMBL295784 0.73 APOBEC3A (0.51) APOBEC3AAPOBEC3GALDH1A1LMNAPOLB
SCHEMBL11238961 0.72 APOBEC3A (0.46) APOBEC3AAPOBEC3GALDH1A1LMNAPOLB
SCHEMBL997368 0.71 NLRP3 (0.36) APOBEC3AAPOBEC3GALDH1A1LMNAPOLB
SCHEMBL15129984 0.68 APOBEC3A (0.46) APOBEC3AAPOBEC3GALDH1A1LMNAPOLB
SCHEMBL20610587 0.68 APOBEC3A (0.42) APOBEC3AAPOBEC3GALDH1A1LMNAPOLB
SCHEMBL872949 0.66 ALDH1A1 (0.36) APOBEC3AAPOBEC3GALDH1A1LMNANLRP3
SCHEMBL11240136 0.66 NLRP3 (0.38) ALDH1A1LMNANLRP3HSD17B10NR3C1

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-4321164-A 2,4,6-Trimethylcyclohexanemethanol and derivatives, process for preparing same and organoleptic uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-03-23 US disclosed
US-4311602-A Use of 2,4,6-trimethylcyclohexanemethanol derivatives in augmenting or enhancing the aroma of dryer-added fabric softener articles INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-01-19 US disclosed
US-4301022-A COMPRISING THE ACETIC ACID ESTER AND THE CYCLOHEXENE COMPOUNDS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-11-17 US disclosed
US-4289146-A Use of 2,4,6-trimethylcyclohexanemethanol and derivatives for augmenting or enhancing the aroma or taste of smoking tobacco and smoking tobacco articles INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-09-15 US disclosed
US-4282205-A 2,4,6-Trimethylcyclohexanemethanol and derivatives, process for preparing same and organoleptic uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-08-04 US disclosed