SCHEMBL3900853

SCHEMBL3900853

C=CCOC(=O)c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 3/20 0.48
CTSV O60911 2/20 0.48
CTSL P07711 2/20 0.48
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.45
ABCB1 P08183 1/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.43
PKM P14618 1/20 0.43
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42

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
SCHEMBL874114 0.89 MEN1 (0.54) MEN1KMT2AALDH1A1MAPTCTSV
SCHEMBL29729282 0.89 MEN1 (0.54) MEN1KMT2AALDH1A1MAPTCTSV
SCHEMBL2089147 0.89 MEN1 (0.54) MEN1KMT2AALDH1A1MAPTCTSV
SCHEMBL8787550 0.87 MEN1 (0.52) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL2063806 0.86 MEN1 (0.57) MEN1KMT2AALDH1A1MAPTCTSV
SCHEMBL29444157 0.86 MEN1 (0.57) MEN1KMT2AALDH1A1MAPTCTSV
SCHEMBL1013111 0.86 MEN1 (0.57) MEN1KMT2AALDH1A1MAPTCTSV
SCHEMBL13936617 0.85 MEN1 (0.56) MEN1KMT2AALDH1A1MAPTCTSV
SCHEMBL340310 0.85 MEN1 (0.56) MEN1KMT2AALDH1A1MAPTCTSV
Nitric Acid SCHEMBL7007347 0.84 MEN1 (0.56) MEN1KMT2AALDH1A1MAPTCTSV

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-2123627-B1 PROCESS FOR PRODUCING AROMATIC AMINE HAVING ARALKYLOXY OR HETEROARALKYLOXY GROUP UBE INDUSTRIES (JP) 2013-11-20 EP claimed
EP-2123627-A1 PROCESS FOR PRODUCING AROMATIC AMINE HAVING ARALKYLOXY OR HETEROARALKYLOXY GROUP Ube Industries, Ltd. (JP) 2009-11-25 EP claimed
EP-2123627-B1 PROCESS FOR PRODUCING AROMATIC AMINE HAVING ARALKYLOXY OR HETEROARALKYLOXY GROUP UBE INDUSTRIES (JP) 2013-11-20 EP disclosed
EP-2123627-A1 PROCESS FOR PRODUCING AROMATIC AMINE HAVING ARALKYLOXY OR HETEROARALKYLOXY GROUP Ube Industries, Ltd. (JP) 2009-11-25 EP disclosed
EP-1708865-B1 COMPOSITE BODIES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF TICONA GMBH (DE) 2009-03-25 EP disclosed