SCHEMBL4581599

SCHEMBL4581599

CC(CC(C)(C)C)CP(=O)([O-])CC(C)CC(C)(C)C.CCCCCCCCCCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 3/20 0.41
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SLC22A2 O15244 1/20 0.38
DNM1 Q05193 4/20 0.37
TRPM8 Q7Z2W7 3/20 0.33
LMNA P02545 1/20 0.33
ESR1 P03372 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CDC25A P30304 1/20 0.33
AGTR1 P30556 1/20 0.33
AKT1 P31749 1/20 0.33
ADRA1A P35348 1/20 0.33

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
SCHEMBL224727 0.84 DNM1 (0.42) DNM1TRPM8
SCHEMBL8021640 0.79
Phosphoric Acid SCHEMBL28797009 0.75 SLC22A1 (0.72) SLC22A1ALDH1A1TP53CYP3A4ALOX15
Tetrahexylammonium SCHEMBL10947730 0.75 SLC22A1 (0.72) SLC22A1ALDH1A1TP53CYP3A4ALOX15
SCHEMBL9775257 0.73 TRPM8 (0.58) TRPM8
SCHEMBL9775344 0.73 TRPM8 (0.58) TRPM8
Choline SCHEMBL14841017 0.73 MEN1 (0.38) CYP3A4SMN1; SMN2LMNA
Tetrahexylammonium SCHEMBL1204205 0.73 SLC22A1 (0.68) SLC22A1ALDH1A1TP53CYP3A4ALOX15
Phosphoric Acid SCHEMBL7641863 0.73 SLC22A1 (0.68) SLC22A1ALDH1A1TP53CYP3A4ALOX15
Phosphoric Acid SCHEMBL11664264 0.73 SLC22A1 (0.68) SLC22A1ALDH1A1TP53CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1999804-A2 OPTO-ELECTRONIC DEVICES EXHIBITING ENHANCED EFFICIENCY GENERAL ELECTRIC COMPANY (US) 2008-12-10 EP claimed
WO-2007111763-A2 OPTO-ELECTRONIC DEVICES EXHIBITING ENHANCED EFFICIENCY GENERAL ELECTRIC COMPANY (US) 2007-10-04 WO claimed
US-20070215879-A1 Opto-electronic devices exhibiting enhanced efficiency GENERAL ELECTRIC COMPANY (US) 2007-09-20 US claimed
EP-1999804-A2 OPTO-ELECTRONIC DEVICES EXHIBITING ENHANCED EFFICIENCY GENERAL ELECTRIC COMPANY (US) 2008-12-10 EP disclosed
WO-2007111763-A2 OPTO-ELECTRONIC DEVICES EXHIBITING ENHANCED EFFICIENCY GENERAL ELECTRIC COMPANY (US) 2007-10-04 WO disclosed
US-20070215879-A1 Opto-electronic devices exhibiting enhanced efficiency GENERAL ELECTRIC COMPANY (US) 2007-09-20 US disclosed