SCHEMBL28083240

SCHEMBL28083240

O=[C]Oc1ccccc1.[CH]=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.41
TSHR P16473 1/20 0.41
CA4 P22748 1/20 0.38
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
SRC P12931 1/20 0.36
KCNA3 P22001 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALOX15 P16050 1/20 0.34
CA5A P35218 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NR1H2 P55055 1/20 0.32
BAX Q07812 1/20 0.32
MAOA P21397 1/20 0.32
GSTP1 P09211 1/20 0.31
SOS1 Q07889 1/20 0.31

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
SCHEMBL2661 0.95
SCHEMBL28090054 0.87 CA1 (0.39) LTA4HTSHRCA4CA1CA2
Trimethylammonium SCHEMBL27736610 0.85 CA4 (0.40) LTA4HTSHRCA4CA1CA2
SCHEMBL8483162 0.85 LTA4H (0.57) LTA4HTSHRCA1CA2CA9
SCHEMBL28198242 0.83 CA4 (0.39) LTA4HTSHRCA4CA1CA2
SCHEMBL28100335 0.81 MTNR1A (0.39) TSHRCA4SRCTDP1L3MBTL1
SCHEMBL1262460 0.80 CA1 (0.47) CA1CA2CA9TDP1CYP2C9
SCHEMBL8142070 0.80 CA2 (0.32) CA1CA2CA9
SCHEMBL28144918 0.78 LTA4H (0.39) LTA4HCA4KCNA3TDP1L3MBTL1
SCHEMBL8151669 0.76 KMT2A (0.41) LTA4HTSHRCA1CA2CA9

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-105745230-B Radical polymerization initiator and method for producing polymer 日本瑞翁株式会社 2019-08-13 CN disclosed
CN-108779193-A The manufacturing method of copolymer and the manufacturing method of latex 日本瑞翁株式会社 2018-11-09 CN disclosed
CN-105745230-A Radical polymerization initiator and method for producing polymer 日本瑞翁株式会社 2016-07-06 CN disclosed