SCHEMBL8569314

SCHEMBL8569314

CCCCCCCC[B-](CCCCCCCC)(c1ccc(C)cc1)c1ccc(C)cc1.CC[P+](CC)(CC)CC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
KCNH2 Q12809 5/20 0.39
MCHR1 Q99705 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
DNM1 Q05193 1/20 0.30
CNR2 P34972 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
GPX4 P36969 1/20 0.30
RAB9A P51151 1/20 0.30
PAX8 Q06710 1/20 0.30
GRM2 Q14416 1/20 0.30
GCGR P47871 1/20 0.30

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
SCHEMBL8568301 0.93 KCNH2 (0.34) HTTKCNH2MCHR1L3MBTL1ALDH1A1
SCHEMBL8574098 0.89 HTT (0.41) HTTKCNH2MCHR1L3MBTL1GRM2
SCHEMBL8569316 0.88 HTT (0.38) HTTKCNH2MCHR1L3MBTL1
SCHEMBL8568207 0.88 DNM1 (0.47) HTTKCNH2MCHR1L3MBTL1DNM1
SCHEMBL8573076 0.88 DNM1 (0.47) HTTKCNH2MCHR1L3MBTL1DNM1
SCHEMBL8570935 0.88 HTT (0.38) HTTKCNH2MCHR1L3MBTL1
Tetramethylammonium Ion SCHEMBL8575214 0.85 HTT (0.41) HTTKCNH2MCHR1L3MBTL1DNM1
Tetramethylammonium Ion SCHEMBL8571336 0.85 HTT (0.41) HTTKCNH2MCHR1L3MBTL1DNM1
SCHEMBL8572347 0.84 DNM1 (0.47) HTTKCNH2MCHR1L3MBTL1DNM1
SCHEMBL8568712 0.84 KCNH2 (0.41) HTTKCNH2DNM1TP53

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