SCHEMBL9082829

SCHEMBL9082829

COC(=O)C(C)CSC(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESRRB O95718 1/20 0.49
GPR139 Q6DWJ6 1/20 0.49
KMT2A Q03164 5/20 0.49
TSHR P16473 1/20 0.47
ACE P12821 2/20 0.44
MME P08473 2/20 0.44
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 1/20 0.40
MAPT P10636 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
SCHEMBL10639568 1.00 ESRRB (0.49) ESRRBGPR139KMT2ATSHRACE
SCHEMBL10633562 1.00 ESRRB (0.49) ESRRBGPR139KMT2ATSHRACE
SCHEMBL18113164 0.86 KMT2A (0.50) GPR139KMT2AACEALDH1A1MAPT
SCHEMBL10633458 0.86 KMT2A (0.46) ESRRBKMT2ATSHRACEMME
SCHEMBL10639492 0.86 KMT2A (0.46) ESRRBKMT2ATSHRACEMME
SCHEMBL15281190 0.84 ESRRB (0.47) ESRRBGPR139KMT2ATSHRPTGS1
SCHEMBL10639398 0.84 ADRB2 (0.45) KMT2AALDH1A1MAPT
SCHEMBL10636996 0.84 ADRB2 (0.45) KMT2AALDH1A1MAPT
SCHEMBL4918632 0.83 KMT2A (0.45) GPR139KMT2ATSHRACEMME
SCHEMBL7897731 0.83 GPR139 (0.50) GPR139KMT2ATSHRACEMME

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
EP-0259465-A1 PROCESS FOR PREPARING OPTICALLY-ACTIVE 3-ACYLTHIO-2-METHYLPROPIONIC ACID DERIVATIVES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1988-03-16 EP claimed
WO-1987005328-A1 PROCESS FOR PREPARING OPTICALLY-ACTIVE 3-ACYLTHIO-2-METHYLPROPIONIC ACID DERIVATIVES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1987-09-11 WO claimed
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-5476791-A Reacting thioacetic acid with methyl methacrylate; contacting the propionate with cells of microorganisms to effect biological and asymmetric hydrolysis; extraction; reacting with L-proline MITSUBISHI RAYON COMPANY, LIMITED (JP) 1995-12-19 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-0435178-A1 Process for racemizing optically active carboxylic acid esters MITSUBISHI RAYON CO., LTD. (JP) 1991-07-03 EP disclosed
EP-0172614-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID AMIDES MITSUBISHI RAYON CO., LTD. (JP) 1989-01-18 EP disclosed
EP-0259465-A1 PROCESS FOR PREPARING OPTICALLY-ACTIVE 3-ACYLTHIO-2-METHYLPROPIONIC ACID DERIVATIVES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1988-03-16 EP disclosed
WO-1987005328-A1 PROCESS FOR PREPARING OPTICALLY-ACTIVE 3-ACYLTHIO-2-METHYLPROPIONIC ACID DERIVATIVES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1987-09-11 WO disclosed
US-4629701-A USING A HYDROLASE OR HICROORGANISM IN A CULTURE MITSUBISHI RAYON COMPANY, LIMITED (JP) 1986-12-16 US disclosed