SCHEMBL8567885

SCHEMBL8567885

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 2/20 0.41
TSHR P16473 2/20 0.40
USP2 O75604 2/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HIF1A Q16665 2/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NR1I2 O75469 2/20 0.39
APAF1 O14727 1/20 0.39
HSP90AA1 P07900 1/20 0.39
IDE P14735 1/20 0.39
UBE2N P61088 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
SCHEMBL8573073 0.97 SLC22A1 (0.41) SLC22A1TSHRUSP2LMNACYP1A2
SCHEMBL8571965 0.97 SLC22A1 (0.41) SLC22A1TSHRUSP2LMNACYP1A2
Tetrabuthylammonium SCHEMBL8569958 0.95 SLC22A1 (0.39) SLC22A1TSHRUSP2LMNACYP1A2
Tetrabuthylammonium SCHEMBL8568076 0.94 SLC22A1 (0.38) SLC22A1TSHRUSP2LMNACYP1A2
Tetrabuthylammonium SCHEMBL8573169 0.94 SLC22A1 (0.38) SLC22A1TSHRUSP2LMNACYP1A2
Tetrabuthylammonium SCHEMBL7098009 0.92 SLC22A1 (0.39) SLC22A1TSHRUSP2LMNACYP1A2
SCHEMBL8568544 0.89 SLC22A1 (0.42) SLC22A1TSHRUSP2LMNACYP1A2
SCHEMBL306975 0.89 CNR1 (0.41) CNR1
SCHEMBL21102044 0.89 CNR1 (0.41) CNR1
SCHEMBL307357 0.89 CNR1 (0.41) CNR1

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