SCHEMBL8773025

SCHEMBL8773025

CCCCOC(=O)N(CC)OCC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
ATM Q13315 1/20 0.45
TSHR P16473 5/20 0.42
HPGD P15428 1/20 0.42
HCAR2 Q8TDS4 1/20 0.40
NAAA Q02083 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EPHX1 P07099 1/20 0.37
ESR1 P03372 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
NR1H2 P55055 1/20 0.37
RNASEL Q05823 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACHE P22303 6/20 0.36

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
SCHEMBL8773023 0.88 HCAR2 (0.36) ALDH1A1ATMTSHRHCAR2TDP1
SCHEMBL8773032 0.81 ALDH1A1 (0.43) ALDH1A1TSHRHCAR2L3MBTL1LMNA
SCHEMBL28786740 0.80 ALDH1A1 (0.48) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL10644883 0.78 NAAA (0.42) ALDH1A1TSHRHCAR2NAAAEPHX1
SCHEMBL8909377 0.77 ALDH1A1 (0.54) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL8773035 0.76 ALDH1A1 (0.48) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL28768590 0.76 L3MBTL1 (0.57) ALDH1A1TSHRTDP1L3MBTL1MAPK1
SCHEMBL2443683 0.75 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL26133370 0.75 ALDH1A1 (0.52) ALDH1A1TSHRTDP1ESR1LMNA
SCHEMBL16119487 0.75 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0692469-B1 Process for recovering N,O-dialkylhydroxycarbamic acid ester MITSUI PETROCHEMICAL IND (JP) 1997-10-22 EP disclosed
EP-0581613-B1 Process for preparing N,O-dialkylhydroxycarbamic acid esters MITSUI PETROCHEMICAL IND (JP) 1996-09-11 EP disclosed
US-5510511-A REACTING HYDROXYLAMINE AND DIHYDROCARBYL CARBONATE WITH COOLING IN PRESENCE OF BASIC COMPOUND, ALKYLATING TO FORM N,O-DIALKYLHYDROXYCARBAMIC ACID ESTER MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1996-04-23 US disclosed
EP-0692469-A1 Process for recovering N,O-dialkylhydroxycarbamic acid ester MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1996-01-17 EP disclosed
EP-0581613-A1 Process for preparing N,O-dialkylhydroxycarbamic acid esters MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-02-02 EP disclosed