SCHEMBL11211488

SCHEMBL11211488

CC(C)c1ccc(OO)cc1.Cc1ccc(OO)c(C(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.40
LMNA P02545 1/20 0.40
CHRM1 P11229 1/20 0.40
SLC6A2 P23975 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
HTR2A P28223 2/20 0.39
SLC6A4 P31645 2/20 0.39
KCNH2 Q12809 2/20 0.39
HPGD P15428 1/20 0.35
XBP1 P17861 1/20 0.35

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
SCHEMBL6284868 0.87 LMNA (0.50) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL3191477 0.79 GABRA1 (0.41) TRPA1LMNA
SCHEMBL18614728 0.77 RAB9A (0.46) HPGDXBP1
SCHEMBL16628 0.77 RAB9A (0.46) HPGDXBP1
Methyl Alcohol SCHEMBL7601547 0.75 RAB9A (0.44) HPGDXBP1
SCHEMBL465786 0.74 HTR2A (0.47) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL5705088 0.72 HPGD (0.38) LMNASLC6A2HTR2BHTR2ASLC6A4
SCHEMBL11010571 0.72 LMNA (0.48) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL15719318 0.71 HTR2A (0.44) TRPA1LMNACHRM1SLC6A2ADRA1A
Hydrochloric Acid SCHEMBL27516546 0.71 LMNA (0.44) TRPA1LMNACHRM1SLC6A2ADRA1A

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
EP-0028522-B1 PROCESS FOR PRODUCING PHENOLIC COMPOUNDS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1983-03-23 EP disclosed
US-4351967-A BY CATALYTIC CLEAVAGE OF AN ARALKYL HYDROPEROXIDE WITH AN ACID, AND DISTILLATION IN THE PRESENCE OF A POLYALKYLENE GLYCOL OR ITS ETHER MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1982-09-28 US disclosed
EP-0028522-A1 Process for producing phenolic compounds MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1981-05-13 EP disclosed