SCHEMBL28154136

SCHEMBL28154136

CC(C)(C)c1cccc(C(C)(C)C)c1-c1[c]cccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
KIF11 P52732 1/20 0.34
NPSR1 Q6W5P4 1/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
ALOX12 P18054 1/20 0.30

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
SCHEMBL2280822 0.89 GABRA1 (0.43) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL2302604 0.83 TSHR (0.36) ALDH1A1TSHRTDP1
SCHEMBL445399 0.80 ALDH1A1 (0.39) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL21248596 0.79 CA2 (0.46) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL2050623 0.78 CA2 (0.35) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL499732 0.76 CA2 (0.31) CA2ALDH1A1TSHRTDP1
SCHEMBL1901878 0.75 CA2 (0.33) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL1900018 0.75 KIF11 (0.33) CA2ALDH1A1TSHRTDP1GABRA1
SCHEMBL3223109 0.72 CYP1A2 (0.40) CA2ALDH1A1TSHRTDP1GRIN2D
SCHEMBL10523675 0.72 CA2 (0.60) CA2ALDH1A1TSHRTDP1GABRA1

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
CN-107735453-A Poly carbonate resin composition 帝人株式会社 2018-02-23 CN disclosed
CN-107074785-A Polybasic carboxylic acid and polycarboxylic acid compositions, composition epoxy resin, hot curing resin composition, their solidfied material and optical semiconductor device containing it 日本化药株式会社 2017-08-18 CN disclosed
CN-106795125-A Polybasic carboxylic acid and the polycarboxylic acid compositions containing it, composition epoxy resin, hot curing resin composition, their solidfied material and optical semiconductor device 日本化药株式会社 2017-05-31 CN disclosed