SCHEMBL8099528

SCHEMBL8099528

CC(C)(C)c1ccccc1[C]O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
TDP1 Q9NUW8 2/20 0.50
TSHR P16473 1/20 0.50
CA2 P00918 2/20 0.46
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
KIF11 P52732 1/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALOX12 P18054 2/20 0.33
ALOX15 P16050 2/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL1697185 0.80 CA2 (0.46) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL717061 0.78 ALDH1A1 (0.46) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL179312 0.76 TSHR (0.50) ALDH1A1TDP1TSHRCA2CYP1A2
SCHEMBL6346979 0.76 ALDH1A1 (0.44) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL4590165 0.76 ALDH1A1 (0.44) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL536089 0.76 ALDH1A1 (0.44) ALDH1A1TDP1TSHRCA2GABRA1
Ethane SCHEMBL2153712 0.74 TSHR (0.48) ALDH1A1TDP1TSHRCA2CYP1A2
Methyl Alcohol SCHEMBL28457865 0.73 ALDH1A1 (0.65) ALDH1A1TDP1TSHRCA2GABRA1
Ethylene SCHEMBL28248107 0.73 TSHR (0.46) ALDH1A1TDP1TSHRCA2CYP1A2
SCHEMBL12203268 0.73 ALDH1A1 (0.42) ALDH1A1TDP1TSHRCA2GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711540-B1 Cosmetic or dermatologic oil/water dispersion stabilized with cubic gel particles and method of preparation OREAL (FR) 2000-05-10 EP disclosed
EP-0711540-A1 Cosmetic or dermatologic oil/water dispersion stabilized with cubic gel particles and method of preparation L'OREAL (FR) 1996-05-15 EP disclosed