SCHEMBL9003380

SCHEMBL9003380

CCC(C)[B-](c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
SLC6A4 P31645 1/20 0.41
NR1I2 O75469 1/20 0.39
MIF P14174 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ACHE P22303 1/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
IDO1 P14902 1/20 0.38
CYP17A1 P05093 1/20 0.38

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
SCHEMBL8757777 0.81 LTA4H (0.34) ALDH1A1
SCHEMBL8757638 0.77 L3MBTL1 (0.46) ALDH1A1MAPTTSHR
SCHEMBL8757244 0.75 TRPA1 (0.34) CA1CA2ALDH1A1MAPTACHE
SCHEMBL8757321 0.75 SLC6A3 (0.38) CA1CA2SLC6A4TSHRIDO1
SCHEMBL309451 0.74 LMNA (0.38) SLC6A4MAOATSHR
Lithium Ion SCHEMBL9003568 0.72 LMNA (0.37) SLC6A4MAOATSHR
Tetrylammonium SCHEMBL8567967 0.69 CA1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL8573247 0.69 CA12 (0.41) CA12CA1CA2CA7CA9
1,4-Dimethoxybenzene SCHEMBL27892470 0.69 CA1 (0.92) CA12CA1CA2CA7CA9
SCHEMBL10172018 0.68 ALDH1A1 (0.67) CA12CA1CA2CA7CA9

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
US-5500453-A INITIATOR FOR PHOTOSENSITIVE FREE RADICAL CURING/ POLYMERIZATION OF UNSATURATED COMPOUNDS TOYO INK MANUFACTURING CO., LTD. (JP) 1996-03-19 US disclosed
EP-0555058-A1 (Oxo)sulfonium complex, polymerizable composition containing the complex, and method of polymerizing composition TOYO INK MANUFACTURING CO., LTD. (JP) 1993-08-11 EP disclosed