SCHEMBL11317552

SCHEMBL11317552

Cc1ccc(O)c(C(C)(C)C(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.46
TP53 P04637 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
LMNA P02545 3/20 0.44
CHRM1 P11229 1/20 0.44
SLC6A2 P23975 1/20 0.44
ADRA1A P35348 1/20 0.44
HTR2B P41595 1/20 0.44
ALDH1A1 P00352 5/20 0.42
ALOX15 P16050 3/20 0.42
HSD17B10 Q99714 3/20 0.42
TYR P14679 2/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 2/20 0.41
NR1I2 O75469 1/20 0.41
CYP2C9 P11712 1/20 0.41
MIF P14174 1/20 0.41
HTT P42858 1/20 0.41
NFE2L2 Q16236 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL1837488 0.80 ALDH1A1 (0.42) TDP1LMNASLC6A2ALDH1A1ALOX15
SCHEMBL29359626 0.79 ALDH1A1 (0.64) TRPA1TP53TDP1LMNAALDH1A1
SCHEMBL30250149 0.79 TRPA1 (0.54) TRPA1TP53TDP1LMNACHRM1
SCHEMBL270433 0.79 ALDH1A1 (0.64) TRPA1TP53TDP1LMNAALDH1A1
SCHEMBL27998175 0.79 TRPA1 (0.54) TRPA1TP53TDP1LMNACHRM1
SCHEMBL6933121 0.78 ALOX15 (0.55) TP53TDP1LMNAALDH1A1ALOX15
SCHEMBL8342693 0.77 TRPA1 (0.52) TRPA1TP53TDP1LMNACHRM1
SCHEMBL11865746 0.77 ALDH1A1 (0.61) TRPA1TP53TDP1LMNAALDH1A1
SCHEMBL11673542 0.77 ALDH1A1 (0.61) TRPA1TP53TDP1LMNAALDH1A1
SCHEMBL28427877 0.77 ALDH1A1 (0.61) TRPA1TP53TDP1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4038471-A METHOD FOR PREPARING HIGH-CIS POLYALKENAMERS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1977-07-26 US claimed
US-4275249-A ALUMINA ALKYLATION CATALYST CONTAINING FLUORIDE OR CHLORIDE CATALYST UOP INC. (US) 1981-06-23 US disclosed
US-4260833-A Preparation of alkylphenols UOP INC. (US) 1981-04-07 US disclosed
US-4038471-A METHOD FOR PREPARING HIGH-CIS POLYALKENAMERS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1977-07-26 US disclosed