SCHEMBL8773015

SCHEMBL8773015

CCCCON(CCCC)C(=O)OCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
ATM Q13315 1/20 0.39
TSHR P16473 3/20 0.37
HPGD P15428 1/20 0.37
DNM1 Q05193 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA9 Q16790 2/20 0.35
CHRM2 P08172 2/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRM3 P20309 1/20 0.35
CHRNA4 P43681 1/20 0.35
HCAR2 Q8TDS4 2/20 0.35
NAAA Q02083 1/20 0.34
DGKA P23743 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL8773035 0.94 ALDH1A1 (0.48) ALDH1A1ATMTSHRHPGDDNM1
SCHEMBL8773042 0.89 ALDH1A1 (0.42) ALDH1A1ATMTSHRHPGDDNM1
SCHEMBL8773024 0.85 ALDH1A1 (0.38) ALDH1A1ATMTSHRHPGDDNM1
SCHEMBL8773030 0.85 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDDNM1
SCHEMBL8773021 0.82 CHRNB2 (0.39) ALDH1A1ATMTSHRDNM1CA12
SCHEMBL19018673 0.78 CA12 (0.48) ALDH1A1ATMTSHRHPGDDNM1
SCHEMBL3243271 0.75 NAAA (0.38) TSHRDNM1HCAR2NAAADGKA
SCHEMBL12233055 0.74 CA12 (0.52) ALDH1A1ATMTSHRHPGDDNM1
SCHEMBL2443683 0.74 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL65775 0.74 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDDNM1

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
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