SCHEMBL8897611

SCHEMBL8897611

COC(=O)C(C)CCSC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.36
BLM P54132 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
ACHE P22303 1/20 0.34
MME P08473 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ACE P12821 1/20 0.33
ESRRB O95718 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ZDHHC7 Q9NXF8 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL31232336 0.81 SMN1; SMN2 (0.38) SMN1; SMN2CA1CA2CA14ZDHHC7
SCHEMBL31232350 0.81 SMN1; SMN2 (0.38) SMN1; SMN2CA1CA2CA14ZDHHC7
SCHEMBL11003404 0.79 MME (0.46) SMN1; SMN2MMEACE
SCHEMBL9089035 0.79 MME (0.46) SMN1; SMN2MMEACE
SCHEMBL6229414 0.79 MME (0.46) SMN1; SMN2MMEACE
SCHEMBL5546583 0.79 CYP2C9 (0.44) CYP2C19ALDH1A1
SCHEMBL15041051 0.79 CYP2C9 (0.44) CYP2C19ALDH1A1
SCHEMBL13103971 0.79 CYP2C9 (0.44) CYP2C19ALDH1A1
SCHEMBL23866820 0.78 CYP2C19 (0.36) CYP2C19POLBBLMATMCA1
SCHEMBL23860023 0.78 CYP2C19 (0.36) CYP2C19POLBBLMATMCA1

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-0513806-B1 Esterase genes, esterase, recombinant plasmids and transformants containing the recombinant plasmid and methods of producing optically active carboxylic acids and their enantiomeric esters using said transformants MITSUBISHI RAYON CO (JP) 1997-03-12 EP disclosed
US-5482847-A Esterase genes, esterase, recombinant plasmids and transformants containing the recombinant plasmid and methods of producing optically active carboxylic acids and their enantiomeric esters using said trasnformants MITSUBISHI RAYON CO., LTD. (JP) 1996-01-09 US disclosed
US-5308765-A Esterase genes, esterase, recombinant plasmids and transformants containing the recombinant plasmid and methods of producing optically acitve carboxylic acids and their enantiomeric esters using said transformants MITSUBISHI RAYON CO., LTD. (JP) 1994-05-03 US disclosed
EP-0435178-B1 Process for racemizing optically active carboxylic acid esters MITSUBISHI RAYON CO (JP) 1994-03-23 EP disclosed
EP-0513806-A1 Esterase genes, esterase, recombinant plasmids and transformants containing the recombinant plasmid and methods of producing optically active carboxylic acids and their enantiomeric esters using said transformants MITSUBISHI RAYON CO., LTD (JP) 1992-11-19 EP disclosed
US-5149855-A Recomposing, contacting with amine; elipdar aprotic solvent MITSUBISHI RAYON CO., LTD. (JP) 1992-09-22 US disclosed
EP-0130752-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE CARBOXYLIC ACIDS AND ANTIPODE ESTERS THEREOF MITSUBISHI RAYON CO., LTD. (JP) 1991-02-27 EP disclosed
US-4629701-A USING A HYDROLASE OR HICROORGANISM IN A CULTURE MITSUBISHI RAYON COMPANY, LIMITED (JP) 1986-12-16 US disclosed