SCHEMBL11318596

SCHEMBL11318596

CCCC[N+](CC)(CCCC)CCCC.COS(=O)(=O)[O-]

nearest known ligand 0.44

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 3/20 0.44
DNM1 Q05193 4/20 0.43
TSHR P16473 3/20 0.39
RECQL P46063 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
EPHX2 P34913 1/20 0.39
BLM P54132 1/20 0.39
SLC22A2 O15244 1/20 0.39
HIF1A Q16665 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BBOX1 O75936 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL11327190 0.92 DNM1 (0.56) SLC22A1DNM1TSHRRECQLGLA
Tetrabuthylammonium SCHEMBL5574939 0.91 SLC22A1 (0.55) SLC22A1DNM1TSHRRECQLGLA
SCHEMBL1777513 0.89 DNM1 (0.52) SLC22A1DNM1TSHRRECQLGLA
SCHEMBL11820465 0.88 DNM1 (0.56) SLC22A1DNM1TSHRRECQLGLA
SCHEMBL11282675 0.88 DNM1 (0.56) SLC22A1DNM1TSHRRECQLGLA
SCHEMBL593116 0.88 DNM1 (0.61) SLC22A1DNM1TSHRRECQLGLA
SCHEMBL11673956 0.88 DNM1 (0.56) SLC22A1DNM1TSHRRECQLGLA
SCHEMBL9445742 0.88 DNM1 (0.56) SLC22A1DNM1TSHRRECQLGLA
SCHEMBL9725302 0.88 DNM1 (0.56) SLC22A1DNM1TSHRRECQLGLA
SCHEMBL8493186 0.88 DNM1 (0.61) SLC22A1DNM1TSHRRECQLGLA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4288300-A IN ELECTROLYTIC CELL HAVING ALKALI METAL OR TETRAALKYLAMMONIUM ALKOSULFATE AS ELECTROLYTE HOECHST AKTIENGESELLSCHAFT (DE) 1981-09-08 US disclosed