SCHEMBL2163440

SCHEMBL2163440

N#CC(O)CCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.44
TSHR P16473 2/20 0.43
ANPEP P15144 2/20 0.43
ERAP1 Q9NZ08 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ERAP2 Q6P179 1/20 0.43
ACP3 P15309 1/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
KCNH2 Q12809 1/20 0.41
CNR2 P34972 1/20 0.41
FAAH O00519 1/20 0.40
DPP4 P27487 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 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
SCHEMBL3997283 1.00 CTSC (0.44) CTSCTSHRANPEPERAP1TDP1
SCHEMBL4323888 1.00 CTSC (0.44) CTSCTSHRANPEPERAP1TDP1
SCHEMBL8688252 0.89 GAA (0.46) CTSCTDP1
SCHEMBL8688302 0.89 GAA (0.46) CTSCTDP1
SCHEMBL8690046 0.89 GAA (0.46) CTSCTDP1
SCHEMBL8008396 0.88 FAAH (0.44) TSHRTDP1SLC6A3FAAH
SCHEMBL12570603 0.86 FAAH (0.50) SLC6A3FAAH
SCHEMBL864174 0.85 FAAH (0.52) FAAH
SCHEMBL11807544 0.85 FAAH (0.52) FAAH
SCHEMBL18240095 0.85 FAAH (0.52) FAAH

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 139 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040048346-A1 Synthesis of chiral intermediates useful in preparing pharmacologically active compounds FERMENTA BIOTECH LTD. (IN) 2004-03-11 US claimed
EP-1335988-A2 SYNTHESIS OF CHIRAL INTERMEDIATES USEFUL IN PREPARING PHARMACOLOGICALLY ACTIVE COMPOUNDS Fermenta Biotech Ltd (IN) 2003-08-20 EP claimed
WO-2002042244-A2 SYNTHESIS OF CHIRAL INTERMEDIATES USEFUL IN PREPARING PHARMACOLOGICALLY ACTIVE COMPOUNDS FERMENTA BIOTECH LTD (GB) 2002-05-30 WO claimed
EP-0610049-B1 Process for producing optically active alpha-hydroxycarboxylic acid having phenyl group MITSUBISHI RAYON CO (JP) 1999-11-03 EP claimed
EP-0610048-B1 Process for producing optically active alpha-hydrocarboxylic acid having phenyl group MITSUBISHI RAYON CO (JP) 1999-09-22 EP claimed
US-5714357-A Process for producing optically active α-hydroxycarboxylic acid having phenyl group NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1998-02-03 US claimed
US-5580765-A A CULTURE PRODUCT OF A-HYDROXYNITRILE OR A MIXTURE OF ALDEHYDE AND PRUSSIC ACID NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1996-12-03 US claimed
EP-0610048-A2 Process for producing optically active alpha-hydrocarboxylic acid having phenyl group NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1994-08-10 EP claimed
EP-0610049-A2 Process for producing optically active alpha-hydroxycarboxylic acid having phenyl group NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1994-08-10 EP claimed
CN-119192025-A Industrial preparation method and application of alpha-hydroxynitrile 哈尔滨理工大学 2024-12-27 CN disclosed
CN-113866321-B Detection method of body-building and digestion-promoting liquid 云南省食品药品监督检验研究院 2024-11-22 CN disclosed
EP-4001422-A1 PREPARATION OF OPTICALLY ACTIVE CYANOHYDRINS FROM ALDEHYDES AND KETONES USING A BIPHASIC HYDROXYNITRILE LYASE-CATALYZED HYDROCYANATION PROCESS Enzymaster Deutschland GmbH (DE) 2022-05-25 EP disclosed
CN-113584096-A Preparation method and application of R-2-hydroxybenzene butyronitrile 江西科苑生物股份有限公司 2021-11-02 CN disclosed
CN-106520743-B Recombination hydroxynitrile lyases and its application for being used to prepare optical homochiral cyanalcohol 华东理工大学 2019-08-06 CN disclosed
EP-0001559-B1 SYNTHESIS OF 2-KETO-1,4-DIAZACYCLOALKANES The B.F. GOODRICH Company (US) 1982-01-13 EP disclosed
US-4297497-A Synthesis of 2-keto-1,4-diazacycloalkanes THE B. F. GOODRICH COMPANY 1981-10-27 US disclosed
EP-0029088-A2 Synthesis of 2-keto-1,4-diazacycloalkanes The B.F. GOODRICH Company (US) 1981-05-27 EP disclosed
EP-0024337-A1 Synthesis of 2-keto-1,4-diazacycloalkanes The B.F. GOODRICH Company (US) 1981-03-04 EP disclosed
US-4167512-A Synthesis of 2-keto-1,4-diazacycloalkanes THE B. F. GOODRICH COMPANY (US) 1979-09-11 US disclosed
EP-0001559-A2 Synthesis of 2-keto-1,4-diazacycloalkanes The B.F. GOODRICH Company (US) 1979-05-02 EP disclosed