SCHEMBL8773036

SCHEMBL8773036

CCCON(CCC)C(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRM3 P20309 1/20 0.33
CHRNA4 P43681 1/20 0.33
TRPA1 O75762 1/20 0.32
HPGD P15428 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
CA12 O43570 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
SCHEMBL8773021 0.89 CHRNB2 (0.39) ALDH1A1LMNACHRM2CHRM4CHRM5
SCHEMBL8539090 0.86 ALDH1A1 (0.38) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL8773030 0.84 ALDH1A1 (0.47) ALDH1A1LMNACHRM2CHRM4CHRM5
SCHEMBL8773029 0.83 CA12 (0.31) CA12CA2CA9
SCHEMBL2124345 0.81 ALDH1A1 (0.32) ALDH1A1SOAT1HPGDCA12CA2
SCHEMBL8773042 0.80 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10HPGDHCAR2
SCHEMBL4994872 0.79 L3MBTL1 (0.42) CA12CA2
SCHEMBL9493419 0.78 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL4998068 0.78 ALDH1A1 (0.35) ALDH1A1TRPA1HPGDCA12CA2
SCHEMBL11181122 0.77 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10CHRM2CHRM4

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