SCHEMBL8773030

SCHEMBL8773030

CCCCOC(=O)N(CCC)OCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
ATM Q13315 1/20 0.44
TSHR P16473 5/20 0.41
HPGD P15428 1/20 0.41
HCAR2 Q8TDS4 1/20 0.39
NAAA Q02083 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EPHX1 P07099 1/20 0.36
DNM1 Q05193 1/20 0.36
LMNA P02545 1/20 0.36
ESR1 P03372 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
NR1H2 P55055 1/20 0.36
RNASEL Q05823 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRM2 P08172 1/20 0.35

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
SCHEMBL8773021 0.90 CHRNB2 (0.39) ALDH1A1ATMTSHRHCAR2TDP1
SCHEMBL8773035 0.86 ALDH1A1 (0.48) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL8773015 0.85 ALDH1A1 (0.42) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL8773036 0.84 ALDH1A1 (0.37) ALDH1A1HPGDHCAR2DNM1LMNA
SCHEMBL8773029 0.80 CA12 (0.31)
SCHEMBL8909554 0.78 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL27888008 0.77 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL8773042 0.77 ALDH1A1 (0.42) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL27864295 0.76 ALDH1A1 (0.50) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL14138540 0.76 ALDH1A1 (0.50) 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