SCHEMBL8570830

SCHEMBL8570830

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.41
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
MMP9 P14780 5/20 0.39
MMP1 P03956 5/20 0.37
MMP2 P08253 2/20 0.37
MMP3 P08254 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
DNM1 Q05193 2/20 0.36
BDKRB2 P30411 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
ADAM17 P78536 4/20 0.35

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
SCHEMBL8571957 0.94 DNM1 (0.42) MMP13TAS1R3TAS1R1MMP9MMP1
SCHEMBL8567919 0.94 DNM1 (0.42) MMP13MMP9MMP1MMP2MMP3
SCHEMBL8573048 0.89 MMP13 (0.40) MMP13TAS1R3TAS1R1MMP9MMP1
SCHEMBL8571966 0.88 CA12 (0.38) MMP13TAS1R3TAS1R1CA12CA1
SCHEMBL8573247 0.88 CA12 (0.41) MMP13TAS1R3TAS1R1CA12CA1
Tetramethylammonium Ion SCHEMBL8572011 0.84 CA12 (0.41) MMP13CA12CA1CA2CA7
SCHEMBL8572201 0.83 CA12 (0.37) MMP13TAS1R3TAS1R1CA12CA1
SCHEMBL8569801 0.83 DNM1 (0.41) MMP13MMP9MMP1MMP2MMP3
SCHEMBL8570126 0.83 DNM1 (0.41) MMP13TAS1R3TAS1R1MMP9MMP1
SCHEMBL8570250 0.83 DNM1 (0.41) MMP13TAS1R3TAS1R1MMP9MMP1

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