SCHEMBL8573247

SCHEMBL8573247

CCCC[B-](CCCC)(c1ccc(OC)cc1)c1ccc(OC)cc1.C[P+](C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
SLC6A4 P31645 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
MMP13 P45452 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
NR1I2 O75469 1/20 0.37
LTA4H P09960 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36

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
SCHEMBL8565355 0.93 MMP9 (0.38) CA12CA1CA2CA7CA9
SCHEMBL8571966 0.89 CA12 (0.38) CA12CA1CA2CA7CA9
Tetramethylammonium Ion SCHEMBL8572011 0.89 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL8570830 0.88 MMP13 (0.41) CA12CA1CA2CA7CA9
SCHEMBL8572201 0.88 CA12 (0.37) CA12CA1CA2CA7CA9
SCHEMBL8571916 0.87 CA12 (0.39) CA12CA1CA2CA7CA9
Tetrylammonium SCHEMBL8565295 0.86 CHRNA7 (0.39) CA12CA1CA2CA7CA9
SCHEMBL8567919 0.85 DNM1 (0.42) MMP13
Tetrabuthylammonium SCHEMBL8572272 0.84 SLC22A1 (0.40) CA12CA1CA2CA7CA9
Tetraphenylphosphonium SCHEMBL8572503 0.84 LTA4H (0.42) SIGMAR1LTA4HHTT

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-5814427-A RESIN BINDER, FOR REUSE OF WASTE PAPER BANDO CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-29 US disclosed
EP-0678790-A1 DECOLORABLE TONER AND PRODUCTION METHOD THEREFOR BANDO CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-25 EP disclosed