SCHEMBL28217116

SCHEMBL28217116

C=C(C(=O)OC)c1cccc(C(C)(C)C)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.48
TDP1 Q9NUW8 2/20 0.43
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.38
ALOX12 P18054 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
ALOX5 P09917 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 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
SCHEMBL28465355 0.80 CA2 (0.55) CA2GABRA1GABRB2ATMNPSR1
SCHEMBL27955699 0.77 NR5A2 (0.50) CA2TDP1ATMTSHRALDH1A1
SCHEMBL28232839 0.76 GABRA1 (0.62) CA2TDP1GABRA1GABRB2ATM
SCHEMBL17500168 0.74 CA2 (0.61) CA2TDP1GABRA1GABRB2NPSR1
SCHEMBL13359326 0.74 CA2 (0.61) CA2TDP1GABRA1GABRB2ATM
SCHEMBL6851744 0.74 CA2 (0.61) CA2TDP1GABRA1GABRB2NPSR1
SCHEMBL39311 0.74 CA2 (0.61) CA2TDP1GABRA1GABRB2NPSR1
SCHEMBL30638079 0.74 CA2 (0.61) CA2TDP1GABRA1GABRB2NPSR1
SCHEMBL27848882 0.74 LMNA (0.53) LMNAPTGS1
SCHEMBL8647148 0.73 CA2 (0.59) CA2TDP1GABRA1GABRB2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105102561-B Active energy ray curable adhesive compound, polarizing coating and its manufacture method, optical film and image display device 日东电工株式会社 2018-05-11 CN disclosed