SCHEMBL7525591

SCHEMBL7525591

N#C[C@H](COC=O)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
ANPEP P15144 1/20 0.38
CTSC P53634 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
CTSS P25774 6/20 0.36
CTSK P43235 4/20 0.36
TACR1 P25103 1/20 0.36
CTSL P07711 5/20 0.35
CTSB P07858 3/20 0.35
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH7 P40394 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL7525598 1.00 EPHX1 (0.40) EPHX1ANPEPCTSCMEN1KMT2A
SCHEMBL1343851 0.78 EPHX1 (0.48) EPHX1ANPEPCTSCTAAR1CTSS
SCHEMBL18085425 0.77 EPHX1 (0.46) EPHX1ANPEPMEN1KMT2ATAAR1
SCHEMBL11040202 0.75 ANPEP (0.40) ANPEPCTSCCTSSCTSKCTSL
SCHEMBL14680898 0.74 EPHX1 (0.57) EPHX1ANPEPTAAR1TACR1
SCHEMBL98648 0.74 TAAR1 (0.49) EPHX1MEN1KMT2ATAAR1CTSK
SCHEMBL27649497 0.74 EPHX1 (0.43) EPHX1ANPEPCTSCMEN1KMT2A
SCHEMBL1096439 0.72 TRPA1 (0.38) MEN1KMT2ACTSSCTSLCYP1A2
SCHEMBL7514198 0.71 EPHX1 (0.41) EPHX1ANPEPMEN1KMT2ATAAR1
SCHEMBL7514207 0.71 EPHX1 (0.41) EPHX1ANPEPMEN1KMT2ATAAR1

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