SCHEMBL8045306

SCHEMBL8045306

CCC[N+](CCC)(CCC)CCOCC[N+](CCC)(CCC)CCC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 4/20 0.62
SLC22A2 O15244 1/20 0.40
HSD17B10 Q99714 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
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
DNM1 Q05193 3/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
PRKD3 O94806 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32

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
SCHEMBL7112436 0.92 SLC22A1 (0.53) SLC22A1SLC22A2ALOX15TSHRHIF1A
Bromide SCHEMBL10389270 0.85 SLC22A1 (0.46) SLC22A1SLC22A2HSD17B10ALDH1A1TP53
Bromide SCHEMBL10389272 0.85 SLC22A1 (0.46) SLC22A1SLC22A2CYP3A4TSHRMEN1
Bromide SCHEMBL10389236 0.85 SLC22A1 (0.46) SLC22A1SLC22A2HSD17B10ALDH1A1TP53
SCHEMBL16352859 0.84 SLC22A1 (0.43) SLC22A1HSD17B10ALOX15TSHRHIF1A
Bromide SCHEMBL10389271 0.83 SLC22A1 (0.43) SLC22A1HSD17B10ALDH1A1TP53CYP3A4
SCHEMBL26645125 0.83 SLC22A1 (0.43) SLC22A1HSD17B10ALDH1A1TSHRDNM1
Hydrochloric Acid SCHEMBL9727394 0.83 HTT (0.54) SLC22A1SLC22A2HSD17B10ALDH1A1TP53
SCHEMBL7112431 0.82 SLC22A1 (0.42) SLC22A1ALOX15TSHRHIF1ADNM1
Tetrapropylammonium SCHEMBL2864463 0.79 SLC22A1 (0.83) SLC22A1SLC22A2HSD17B10ALDH1A1TP53

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-6165378-A Polysaccharide derivative/magnetic metal oxide composite MEITO SANGYO KABUSHIKI KAISHA (JP) 2000-12-26 US disclosed
EP-0928809-A1 POLYSACCHARIDE DERIVATIVE/MAGNETIC METAL OXIDE COMPOSITE MEITO SANGYO KABUSHIKI KAISHA (JP) 1999-07-14 EP disclosed