SCHEMBL6553384

SCHEMBL6553384

O=C(O)CC(Cc1ccccc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.63
GABBR1 Q9UBS5 1/20 0.63
MIF P14174 1/20 0.62
CPA1 P15085 2/20 0.58
CPB1 P15086 1/20 0.58
CPA3 P15088 1/20 0.58
CPB2 Q96IY4 1/20 0.58
MTNR1A P48039 1/20 0.57
MTNR1B P49286 1/20 0.57
EPHX1 P07099 1/20 0.52
MAPT P10636 1/20 0.51
ITGB3 P05106 4/20 0.50
ITGAV P06756 4/20 0.50
ITGB1 P05556 1/20 0.50
ITGB5 P18084 1/20 0.50
ITGB6 P18564 1/20 0.50
CYP1A2 P05177 1/20 0.50
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL6553378 1.00 GABBR2 (0.63) GABBR2GABBR1MIFCPA1CPB1
SCHEMBL28335512 0.98 GABBR2 (0.61) GABBR2GABBR1MIFCPA1CPB1
SCHEMBL27291057 0.98 GABBR2 (0.61) GABBR2GABBR1MIFCPA1CPB1
SCHEMBL6178799 0.89 GABBR2 (0.56) GABBR2GABBR1MIFCPA1CPB1
SCHEMBL6177284 0.89 GABBR2 (0.56) GABBR2GABBR1MIFCPA1CPB1
SCHEMBL6177276 0.89 GABBR2 (0.56) GABBR2GABBR1MIFCPA1CPB1
SCHEMBL10523496 0.88 MIF (0.54) GABBR2GABBR1MIFCPA1CPB1
SCHEMBL6177258 0.88 GABBR2 (0.54) GABBR2GABBR1MIFCPA1CPB1
SCHEMBL503819 0.85 GABBR2 (0.76) GABBR2GABBR1MAPTCYP1A2KMT2A
SCHEMBL11542680 0.85 MTNR1A (0.63) GABBR2GABBR1MIFCPA1CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111777477-B Method for synthesizing succinic acid derivative or 3-aryl propionic acid 四川大学 2021-09-14 CN disclosed
CN-111777477-A Method for synthesizing succinic acid derivative or 3-aryl propionic acid 四川大学 2020-10-16 CN disclosed
CN-107602406-B Preparation method and content control method in racecadotril as two kinds of impurity of external standard 陕西汉江药业集团股份有限公司 2019-08-20 CN disclosed
CN-107602406-A In racecadotril as external standard two kinds of impurity preparation method and content control method 陕西汉江药业集团股份有限公司 2018-01-19 CN disclosed
CN-103889954-B 4 cyano group 3 phenyl 4 (the pyridine 3 base) butyrates that are replaced, they preparation method and as herbicide and the purposes of plant growth regulator 拜耳知识产权有限责任公司 2016-12-07 CN disclosed
CN-100376242-C 2-aryl-propionic acid and medicine composition containing same DOMPAY CO LTD (IT) 2008-03-26 CN disclosed
CN-1612729-A 2-Aryl-propionic acids and pharmaceutical compositions containing them DOMPAY CO LTD (IT) 2005-05-04 CN disclosed
EP-1070043-B1 ASYMMETRIC HYDROGENATION CHIROTECH TECHNOLOGY LTD (GB) 2004-02-18 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
EP-1070043-A1 ASYMMETRIC HYDROGENATION Chirotech Technology Limited (GB) 2001-01-24 EP disclosed
WO-1999052852-A1 ASYMMETRIC HYDROGENATION CHIROTECH TECHNOLOGY LIMITED (GB) 1999-10-21 WO disclosed
WO-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 WO disclosed
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 EP disclosed