SCHEMBL2122129

SCHEMBL2122129

CC1CC1(O)C1(OCCOCCO)CC1C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.31

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
Di(Hydroxyethyl)Ether SCHEMBL5492829 0.82 TSHR (0.48) MEN1KMT2ATHRBHTTMAPT
SCHEMBL17685846 0.72 MEN1 (0.44) MEN1KMT2ATHRBHTTMAPT
Tetraethylene Glycol SCHEMBL16245397 0.66 MEN1 (0.79) MEN1KMT2ATHRBHTTMAPT
Triethylene Glycol SCHEMBL22685883 0.66 MEN1 (0.79) MEN1KMT2ATHRBHTTMAPT
SCHEMBL21997787 0.64 MEN1 (0.44) MEN1KMT2ATHRBHTTMAPT
Tetraethylene Glycol SCHEMBL8003700 0.63 MEN1 (0.55) MEN1KMT2ATHRBHTTMAPT
Hexaethylene Glycol SCHEMBL28265392 0.63 MEN1 (0.85) MEN1KMT2ATHRBHTTMAPT
Triethylene Glycol SCHEMBL27836955 0.63 MEN1 (0.85) MEN1KMT2ATHRBHTTMAPT
Di(Hydroxyethyl)Ether SCHEMBL7598168 0.63 TSHR (0.77) MEN1KMT2ATHRBHTTMAPT
SCHEMBL5145873 0.63 MEN1 (1.00) MEN1KMT2ATHRBHTTMAPT

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-8304218-B2 Enzymatic peracid production using a cosolvent E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-06 US disclosed
US-20120094342-A1 ENZYMATIC PERACID PRODUCTION USING A COSOLVENT DUPONT US HOLDING, LLC 2012-04-19 US disclosed
US-4204010-A Radiation curable, ethylenically unsaturated thixotropic agent and method of preparation W. R. GRACE & CO. (US) 1980-05-20 US disclosed
US-3933940-A Mercaptan blocked thermosetting copolymers PPG INDUSTRIES, INC. (US) 1976-01-20 US disclosed