SCHEMBL8569168

SCHEMBL8569168

CCCCCCCCCCCC[B-](CCCCCCCCCCCC)(c1ccc(C)cc1)c1ccc(C)cc1.CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 3/20 0.46
TSHR P16473 2/20 0.45
HIF1A Q16665 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SLC22A2 O15244 1/20 0.43
DNM1 Q05193 5/20 0.42
HTT P42858 2/20 0.39
KCNH2 Q12809 2/20 0.39
LMNA P02545 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL8570494 1.00 SLC22A1 (0.46) SLC22A1TSHRHIF1AALDH1A1TP53
Tetrabuthylammonium SCHEMBL8575226 0.96 SLC22A1 (0.43) SLC22A1TSHRHIF1AALDH1A1TP53
Tetrabuthylammonium SCHEMBL8572937 0.96 SLC22A1 (0.43) SLC22A1TSHRHIF1AALDH1A1TP53
SCHEMBL8575118 0.96 SLC22A1 (0.46) SLC22A1TSHRHIF1AALDH1A1TP53
Tetrabuthylammonium SCHEMBL8572435 0.91 SLC22A1 (0.44) SLC22A1TSHRHIF1AALDH1A1TP53
Tetrylammonium SCHEMBL8568216 0.89 HTT (0.39) SLC22A1TSHRHIF1ADNM1HTT
Tetrylammonium SCHEMBL8569225 0.89 HTT (0.39) SLC22A1TSHRHIF1ADNM1HTT
Tetramethylammonium Ion SCHEMBL8571336 0.89 HTT (0.41) TP53SMN1; SMN2DNM1HTTKCNH2
Tetramethylammonium Ion SCHEMBL8575214 0.89 HTT (0.41) TP53SMN1; SMN2DNM1HTTKCNH2
SCHEMBL8567915 0.88 SLC22A1 (0.45) SLC22A1TSHRHIF1AALDH1A1TP53

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