SCHEMBL1369959

SCHEMBL1369959

O=C(O)Cc1ccc([N+](=O)[O-])cc1.[NaH]

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.62
CYP1A2 P05177 2/20 0.62
ALDH1A1 P00352 5/20 0.56
TSHR P16473 1/20 0.55
MAPT P10636 3/20 0.54
GAA P10253 1/20 0.54
PKM P14618 1/20 0.54
LOXL2 Q9Y4K0 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CA2 P00918 1/20 0.52
CAMK2A Q9UQM7 1/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
HTT P42858 1/20 0.51
CES1 P23141 1/20 0.50
AKR1B1 P15121 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL76204 0.98 CYP2C19 (0.64) CYP2C19CYP1A2ALDH1A1TSHRMAPT
SCHEMBL30643815 0.98 CYP2C19 (0.64) CYP2C19CYP1A2ALDH1A1TSHRMAPT
SCHEMBL1369963 0.96 CYP2C19 (0.62) CYP2C19CYP1A2ALDH1A1TSHRMAPT
SCHEMBL27861234 0.96 CYP2C19 (0.62) CYP2C19CYP1A2ALDH1A1TSHRMAPT
Hydrochloric Acid SCHEMBL2527458 0.96 CYP2C19 (0.62) CYP2C19CYP1A2ALDH1A1TSHRMAPT
SCHEMBL17154340 0.92 CYP2C19 (0.58) CYP2C19CYP1A2ALDH1A1TSHRMAPT
P-Nitrophenol SCHEMBL26680187 0.91 CA2 (0.68) CYP2C19CYP1A2ALDH1A1TSHRMAPT
Acetonitrile SCHEMBL29144707 0.88 CYP1A2 (0.54) CYP2C19CYP1A2ALDH1A1TSHRMAPT
SCHEMBL8927983 0.88 CYP2C19 (0.54) CYP2C19CYP1A2ALDH1A1TSHRMAPT
SCHEMBL6246258 0.88 SRD5A2 (0.58) CYP2C19CYP1A2ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802888-B2 Process for the preparation of trans 4-amino-cyclohexyl acetic acid ethyl ester HCl RICHTER GEDEON NYRT. (HU) 2014-08-12 US disclosed
US-20110288329-A1 PROCESS FOR THE PREPARATION OF TRANS 4-AMINO-CYCLOHEXYL ACETIC ACID ETHYL ESTER HCL RICHTER GEDEON NYRT. (HU) 2011-11-24 US disclosed
CN-102224130-A Preparation method of trans-4-amino-cyclohexyl ethyl acetate HCl RICHTER GEDEON NYRT 2011-10-19 CN disclosed
EP-2358661-A1 PROCESS FOR THE PREPARATION OF TRANS 4-AMINO-CYCLOHEXYL ACETIC ACID ETHYL ESTER HCL Richter Gedeon Nyrt. (HU) 2011-08-24 EP disclosed
WO-2010070368-A1 PROCESS FOR THE PREPARATION OF TRANS 4-AMINO-CYCLOHEXYL ACETIC ACID ETHYL ESTER HCL RICHTER GEDEON NYRT. (HU) 2010-06-24 WO disclosed
EP-0152475-B1 PHOTOPOLYMERIZABLE COMPOSITIONS POLAROID CORPORATION (US) 1987-11-25 EP disclosed
US-4696876-A POLYETHYLENIMINE, LITHIUM ACRYLATE POLAROID CORPORATION (US) 1987-09-29 US disclosed
US-4588664-A BRANCHED POLYETHYLENIMINE PHOTOINITIATOR POLAROID CORPORATION (US) 1986-05-13 US disclosed
EP-0152475-A1 PHOTOPOLYMERIZABLE COMPOSITIONS. POLAROID CORP (US) 1985-08-28 EP disclosed
WO-1985001127-A1 PHOTOPOLYMERIZABLE COMPOSITIONS POLAROID CORPORATION (US) 1985-03-14 WO disclosed