SCHEMBL7904351

SCHEMBL7904351

CCCCOC(=O)OC(=O)N(N)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
ATM Q13315 1/20 0.41
NAAA Q02083 1/20 0.40
TSHR P16473 5/20 0.39
HPGD P15428 2/20 0.39
HCAR2 Q8TDS4 1/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
PDE4D Q08499 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.35
SOAT1 P35610 1/20 0.34
EPHX1 P07099 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
SCHEMBL855004 0.85 ALDH1A1 (0.50) ALDH1A1ATMNAAATSHRHPGD
SCHEMBL40274 0.78 ALDH1A1 (0.61) ALDH1A1ATMNAAATSHRHPGD
SCHEMBL28329411 0.78 NAAA (0.52) ALDH1A1NAAATSHRHCAR2LMNA
SCHEMBL4313949 0.76 ALDH1A1 (0.58) ALDH1A1ATMNAAATSHRHPGD
SCHEMBL4655566 0.75 ALDH1A1 (0.52) ALDH1A1ATMNAAATSHRHPGD
SCHEMBL27811468 0.74 ALDH1A1 (0.56) ALDH1A1ATMNAAATSHRHPGD
SCHEMBL28186498 0.74 ALDH1A1 (0.56) ALDH1A1ATMNAAATSHRHPGD
SCHEMBL28306636 0.74 ALDH1A1 (0.56) ALDH1A1ATMNAAATSHRHPGD
SCHEMBL37837 0.73 ALDH1A1 (0.67) ALDH1A1ATMNAAATSHRHPGD
SCHEMBL7772397 0.72 ALDH1A1 (0.54) ALDH1A1ATMNAAATSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140822-A1 STABLE ACTIVATED NOVEL CARBAMIC ACID DERIVATIVES, PREPARATION METHOD AND USE FOR PREPARING UREA Centre National de la Recherche Scientifique (FR) 2001-10-10 EP disclosed
WO-2000042009-A1 STABLE ACTIVATED NOVEL CARBAMIC ACID DERIVATIVES, PREPARATION METHOD AND USE FOR PREPARING UREA CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2000-07-20 WO disclosed