SCHEMBL8773042

SCHEMBL8773042

CCCCON(CCCC)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
ATM Q13315 1/20 0.39
TSHR P16473 2/20 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
HCAR2 Q8TDS4 1/20 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
ESR1 P03372 1/20 0.34
ACHE P22303 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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 0.90 ALDH1A1 (0.48) ALDH1A1ATMTSHRHPGDDNM1
SCHEMBL8773015 0.89 ALDH1A1 (0.42) ALDH1A1ATMTSHRHPGDDNM1
SCHEMBL8773024 0.85 ALDH1A1 (0.38) ALDH1A1ATMTSHRHPGDDNM1
SCHEMBL10644883 0.81 NAAA (0.42) ALDH1A1TSHRDNM1HCAR2NAAA
SCHEMBL8773036 0.80 ALDH1A1 (0.37) ALDH1A1HPGDDNM1CA12CA9
SCHEMBL20319944 0.80 CA1 (0.38) ALDH1A1ATMDNM1CA12CA1
SCHEMBL28335631 0.78 DNM1 (0.41) ALDH1A1ATMTSHRDNM1DGKA
SCHEMBL8773030 0.77 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDDNM1
SCHEMBL8539090 0.76 ALDH1A1 (0.38) ALDH1A1CA12CA1CA9LMNA
SCHEMBL4346470 0.75 CA12 (0.50) ALDH1A1CA12CA1CA9LMNA

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