SCHEMBL6553405

SCHEMBL6553405

COC(=O)[C@@H](CC=Cc1ccccc1)CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 6/20 0.50
GRIK2 Q13002 6/20 0.50
KMT2A Q03164 2/20 0.49
PAM P19021 1/20 0.47
HTR2A P28223 3/20 0.45
CTSC P53634 1/20 0.41
MAOB P27338 1/20 0.41
NOS2 P35228 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL6553397 1.00 GRIK1 (0.50) GRIK1GRIK2KMT2APAMHTR2A
SCHEMBL7003638 0.84 GRIK1 (0.49) GRIK1GRIK2KMT2APAMHTR2A
SCHEMBL16147768 0.84 GRIK1 (0.49) GRIK1GRIK2KMT2APAMHTR2A
SCHEMBL16147766 0.84 GRIK1 (0.49) GRIK1GRIK2KMT2APAMHTR2A
SCHEMBL21987027 0.83 GRIK1 (0.65) GRIK1GRIK2PAMHTR2A
SCHEMBL21987028 0.83 GRIK1 (0.65) GRIK1GRIK2PAMHTR2A
SCHEMBL1859895 0.82 ALDH1A1 (0.50) GRIK1GRIK2KMT2AHTR2ANOS2
SCHEMBL12123422 0.81 HTR2A (0.50) GRIK1GRIK2KMT2APAMHTR2A
SCHEMBL5835825 0.80 GRIK1 (0.50) GRIK1GRIK2KMT2APAMHTR2A
SCHEMBL27947171 0.80 HTR2A (0.53) GRIK1GRIK2KMT2APAMHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1070043-B1 ASYMMETRIC HYDROGENATION CHIROTECH TECHNOLOGY LTD (GB) 2004-02-18 EP disclosed
EP-1042270-B1 ASYMMETRIC HYDROGENATION CHIROTECH TECHNOLOGY LTD (GB) 2003-04-09 EP disclosed
US-6414187-B1 PREPARING ENANTIOMERICALLY ENRICHED CARBOXYLIC ACID DERIVATIVE BY FORMING SALT OF DEHYDRO PRECURSOR ACID WITH STOICHIOMETRIC AMOUNT OF BASE AND ASYMMETRICALLY HYDROGENATING IN PRESENCE OF COMPLEX COMPRISING RHODIUM AND CHIRAL PHOSPHINE LIGAND CHIROTECH TECHNOLOGY, LTD. (GB) 2002-07-02 US disclosed
US-6207853-B1 SUCCINIC ACID DERIVATIVE CHIROTECH TECHNOLOGY, INC. (GB) 2001-03-27 US disclosed
EP-1070043-A1 ASYMMETRIC HYDROGENATION Chirotech Technology Limited (GB) 2001-01-24 EP disclosed
EP-1042270-A1 ASYMMETRIC HYDROGENATION Chirotech Technology Limited (GB) 2000-10-11 EP disclosed
WO-1999052852-A1 ASYMMETRIC HYDROGENATION CHIROTECH TECHNOLOGY LIMITED (GB) 1999-10-21 WO disclosed
WO-1999031041-A1 ASYMMETRIC HYDROGENATION CHIROTECH TECHNOLOGY LIMITED (GB) 1999-06-24 WO disclosed