SCHEMBL3300264

SCHEMBL3300264

CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCOCCCC

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 3/20 0.62
TSHR P16473 2/20 0.59
ALDH1A1 P00352 1/20 0.59
TP53 P04637 1/20 0.59
CYP3A4 P08684 1/20 0.59
ALOX15 P16050 1/20 0.59
ALOX12 P18054 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HIF1A Q16665 1/20 0.59
HSD17B10 Q99714 1/20 0.59
SLC22A2 O15244 1/20 0.57
DNM1 Q05193 4/20 0.54
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL31302310 0.95 SLC22A1 (0.62) SLC22A1TSHRALDH1A1TP53CYP3A4
Bromide SCHEMBL20547415 0.93 ALDH1A1 (0.64) SLC22A1TSHRALDH1A1TP53CYP3A4
Hydrochloric Acid SCHEMBL31302283 0.93 SLC22A1 (0.59) SLC22A1TSHRALDH1A1TP53CYP3A4
Fluoride Ion SCHEMBL10492866 0.87 DNM1 (0.58) SLC22A1TSHRALDH1A1TP53CYP3A4
SCHEMBL17328978 0.85 MEN1 (0.63) SLC22A1TSHRALDH1A1TP53CYP3A4
SCHEMBL24465404 0.84 DNM1 (0.58) SLC22A1TSHRALDH1A1TP53CYP3A4
SCHEMBL16352866 0.83 DNM1 (0.50) SLC22A1TSHRCYP3A4SLC22A2DNM1
Hydrochloric Acid SCHEMBL9727394 0.82 HTT (0.54) SLC22A1TSHRALDH1A1TP53CYP3A4
Heptane SCHEMBL15968856 0.82 TSHR (0.63) TSHRALDH1A1CYP3A4SMN1; SMN2MEN1
Heptane SCHEMBL15283969 0.82 TSHR (0.63) TSHRALDH1A1CYP3A4SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093577-A1 LUBRICTING OIL COMPOSITIONS AND USES CASTROL LIMITED (GB) 2010-04-15 US disclosed
EP-2126013-A1 LUBRICATING OIL COMPOSITIONS AND USES Castrol Limited (GB) 2009-12-02 EP disclosed
EP-1970432-A1 Lubricating oil compositions and uses CASTROL LIMITED (GB) 2008-09-17 EP disclosed
WO-2008075016-A1 LUBRICATING OIL COMPOSITIONS AND USES CASTROL LIMITED (GB) 2008-06-26 WO disclosed