SCHEMBL11242434

SCHEMBL11242434

CC1=CC(C)C(C(CO)C(=O)O)C(C)C1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
APOBEC3A P31941 2/20 0.36
APOBEC3G Q9HC16 2/20 0.36
PABPC1 P11940 1/20 0.32
ALOX15 P16050 1/20 0.31
CTNNB1 P35222 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
SCHEMBL11238946 0.79 ALDH1A1 (0.46) ALDH1A1LMNAPOLBAPOBEC3AAPOBEC3G
SCHEMBL25349500 0.72 ALDH1A1 (0.40) ALDH1A1LMNAPOLBAPOBEC3AAPOBEC3G
SCHEMBL15129948 0.70 APOBEC3A (0.36) ALDH1A1LMNAPOLBAPOBEC3AAPOBEC3G
SCHEMBL11247273 0.67 GRM2 (0.34)
SCHEMBL11043975 0.66 ALDH1A1 (0.35) ALDH1A1LMNAPOLBAPOBEC3AAPOBEC3G
SCHEMBL295784 0.65 APOBEC3A (0.51) ALDH1A1LMNAPOLBAPOBEC3AAPOBEC3G
SCHEMBL11238961 0.65 APOBEC3A (0.46) ALDH1A1LMNAPOLBAPOBEC3AAPOBEC3G
SCHEMBL717531 0.64
SCHEMBL15137817 0.64 ALDH1A1 (0.51) ALDH1A1LMNAPOLBAPOBEC3AAPOBEC3G
SCHEMBL15129812 0.64 APOBEC3A (0.48) ALDH1A1LMNAPOLBAPOBEC3AAPOBEC3G

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