SCHEMBL6354040

SCHEMBL6354040

CCCC[N+](CCCC)(CCCC)CCC[Si](OCC)(OCC)OCC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 3/20 0.52
SLC22A2 O15244 1/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DNM1 Q05193 6/20 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
Hydrochloric Acid SCHEMBL6813018 0.98 SLC22A1 (0.50) SLC22A1SLC22A2LMNAALDH1A1TP53
Bromide SCHEMBL6812597 0.98 SLC22A1 (0.50) SLC22A1SLC22A2LMNAALDH1A1TP53
SCHEMBL23035066 0.90 SLC22A1 (0.50) SLC22A1SLC22A2LMNAALDH1A1TP53
SCHEMBL29393461 0.90 SLC22A1 (0.50) SLC22A1SLC22A2LMNAALDH1A1TP53
Hydrochloric Acid SCHEMBL2480151 0.88 LMNA (0.49) SLC22A1SLC22A2LMNAALDH1A1TP53
Hydrochloric Acid SCHEMBL2482594 0.88 LMNA (0.49) SLC22A1SLC22A2LMNAALDH1A1TP53
SCHEMBL2480758 0.88 DNM1 (0.54) SLC22A1SLC22A2LMNAALDH1A1TP53
Hydrochloric Acid SCHEMBL2477872 0.88 LMNA (0.49) SLC22A1SLC22A2LMNAALDH1A1TP53
Hydrochloric Acid SCHEMBL2477272 0.88 LMNA (0.49) SLC22A1SLC22A2LMNAALDH1A1TP53
Hydrochloric Acid SCHEMBL2481683 0.87 DNM1 (0.52) SLC22A1SLC22A2LMNAALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1172079-A1 Use of an organometallic compound for protecting and/or strengthening keratinous materials, and method of treatment L'OREAL (FR) 2002-01-16 EP claimed
US-20050165201-A1 Epoxidizing an alpha-halohydrin intermediate from a halide substitution-deesterification of an alpha -hydroxy ester derivative obtained by the coupling reaction of a phenol and a glycidyl ester BORIACK CLINTON J (US) 2005-07-28 US disclosed
EP-1080084-B1 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS DOW GLOBAL TECHNOLOGIES INC (US) 2004-05-06 EP disclosed
US-20030149219-A1 Process for manufacturing a hydroxyester derivative intermediate and epoxy resins prepared therefrom BORIACK CLINTON J (US) 2003-08-07 US disclosed
US-6534621-B2 Epoxidizing an alpha-halohydrin intermediate produced from an in situ halide substitution-deesterification of an alpha-hydroxy ester derivative DOW GLOBAL TECHNOLOGIES INC. 2003-03-18 US disclosed
EP-1290058-A2 PROCESS FOR MANUFACTURING A HYDROXYESTER DERIVATIVE INTERMEDIATE AND EPOXY RESINS PREPARED THEREFROM DOW GLOBAL TECHNOLOGIES INC. (US) 2003-03-12 EP disclosed
US-20020045707-A1 Process for manufacturing a hydroxyester derivative intermediate and epoxy resins prepared therefrom DOW GLOBAL TECHNOLOGIES INC. 2002-04-18 US disclosed
EP-1172079-A1 Use of an organometallic compound for protecting and/or strengthening keratinous materials, and method of treatment L'OREAL (FR) 2002-01-16 EP disclosed
WO-2001088013-A2 PROCESS FOR MANUFACTURING A HYDROXYESTER DERIVATIVE INTERMEDIATE AND EPOXY RESINS PREPARED THEREFROM DOW GLOBAL TECHNOLOGIES INC (US) 2001-11-22 WO disclosed
CN-1303382-A Epoxidation process for aryl allyl ethers DOW CHEMICAL CO (US) 2001-07-11 CN disclosed
EP-1080084-A2 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS THE DOW CHEMICAL COMPANY (US) 2001-03-07 EP disclosed
US-6087513-A REACTION OF ALLYL ARYL ETHER WITH HYDROGEN PEROXIDE IN THE PRESENCE OF TRANSITION METALS FOR OXIDATION THE DOW CHEMICAL COMPANY (US) 2000-07-11 US disclosed
WO-1999062894-A2 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS THE DOW CHEMICAL COMPANY (US) 1999-12-09 WO disclosed