SCHEMBL1369706

SCHEMBL1369706

Nc1ccc(CC(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.69
ALOX15 P16050 2/20 0.54
MAPK1 P28482 2/20 0.54
HSD17B10 Q99714 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 3/20 0.53
CYP3A4 P08684 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
TSHR P16473 2/20 0.50
RECQL P46063 1/20 0.50
PDK1 Q15118 1/20 0.43
LMNA P02545 1/20 0.42
SNCA P37840 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CASP6 P55212 1/20 0.39

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
SCHEMBL5163520 0.87 L3MBTL1 (0.54) CYP1A2ALOX15MAPK1HSD17B10L3MBTL1
SCHEMBL14342901 0.84 ALOX15 (0.51) CYP1A2ALOX15MAPK1HSD17B10L3MBTL1
SCHEMBL38658431 0.82 ALDH1A1 (0.64) CYP1A2ALOX15MAPK1HSD17B10L3MBTL1
SCHEMBL5957215 0.81 PDGFRB (0.56) CYP1A2ALOX15MAPK1HSD17B10L3MBTL1
SCHEMBL3291900 0.81 CYP1A2 (1.00) CYP1A2MAPK1ALDH1A1TDP1TSHR
SCHEMBL15272523 0.81 CYP1A2 (0.71) CYP1A2HSD17B10ALDH1A1TDP1TSHR
SCHEMBL865986 0.81 CYP1A2 (1.00) CYP1A2MAPK1ALDH1A1TDP1TSHR
SCHEMBL8744287 0.81 ALOX15 (0.59) CYP1A2ALOX15MAPK1HSD17B10L3MBTL1
SCHEMBL29389163 0.80 ALDH1A1 (0.62) CYP1A2ALOX15MAPK1HSD17B10L3MBTL1
SCHEMBL1351968 0.80 ALDH1A1 (0.62) CYP1A2ALOX15MAPK1HSD17B10L3MBTL1

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 6 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
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
CN-1268604-C Industrial preparation method for 3-amino phenylacetic acid UNIV EAST CHINA SCIENCE & TECH (CN) 2006-08-09 CN disclosed
CN-1634871-A Industrial preparation method for 3-amino phenylacetic acid UNIV EAST CHINA SCIENCE & TECH (CN) 2005-07-06 CN disclosed