SCHEMBL7514207

SCHEMBL7514207

[C-]#[N+]C(COC=O)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.41
TAAR1 Q96RJ0 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH7 P40394 1/20 0.36
CYP1A2 P05177 1/20 0.36
SRR Q9GZT4 2/20 0.35
ALPI P09923 1/20 0.34
PKM P14618 1/20 0.34
PTGS1 P23219 1/20 0.34
XIAP P98170 1/20 0.34
SLC7A5 Q01650 1/20 0.34
SLC6A2 P23975 2/20 0.33
MDM2 Q00987 1/20 0.33
MAOA P21397 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL7514198 1.00 EPHX1 (0.41) EPHX1TAAR1MEN1KMT2AADH1B
SCHEMBL18085425 0.78 EPHX1 (0.46) EPHX1TAAR1MEN1KMT2AADH1B
SCHEMBL14680898 0.75 EPHX1 (0.57) EPHX1TAAR1ALPIPKMPTGS1
SCHEMBL98648 0.75 TAAR1 (0.49) EPHX1TAAR1MEN1KMT2ASLC6A2
SCHEMBL23934144 0.72 OPRK1 (0.39) EPHX1TAAR1MEN1KMT2AADH1B
SCHEMBL19355009 0.72 OPRK1 (0.39) EPHX1TAAR1MEN1KMT2AADH1B
SCHEMBL7525598 0.71 EPHX1 (0.40) EPHX1TAAR1MEN1KMT2AADH1B
SCHEMBL24575922 0.71 EPHX1 (0.51) EPHX1TAAR1MEN1KMT2AADH1B
SCHEMBL7525591 0.71 EPHX1 (0.40) EPHX1TAAR1MEN1KMT2AADH1B
SCHEMBL18085427 0.68 ANPEP (0.40) MEN1KMT2AADH1BADH1CADH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906900-B1 A process for preparing optically active 2-hydroxy-methyl-3-phenylpropionic acid AJINOMOTO KK (JP) 2002-01-23 EP disclosed
US-6093846-A BY REACTING WITH SPECIFIED OPTICALLY ACTIVE AMINES SUCH AS CIS-1-AMINO-2-INDANOL IN A SOLVENT, PRODUCING TWO DIASTEREOISOMERIC SALTS OF DIFFERING SOLUBILITY, FRACTIONAL CRYSTALLIZATION AND DECOMPOSING THE SALT WITH ALKALI OR ACID AJINOMOTO CO., INC. (JP) 2000-07-25 US disclosed
US-6028217-A CHEMICAL INTERMEDIATE FOR RENIN INHIBITOR OR ENKEPHALINASE ENZYME INHIBITOR AJINOMOTO CO., INC. (JP) 2000-02-22 US disclosed
EP-0906900-A1 A process for preparing optically active 2-hydroxy-methyl-3-phenylpropionic acid Ajinomoto Co., Inc. (JP) 1999-04-07 EP disclosed