SCHEMBL9402099

SCHEMBL9402099

O=C(CC(S)C(=O)O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
MAPT P10636 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MAPK1 P28482 2/20 0.52
HPGD P15428 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
KDM4E B2RXH2 2/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
CES1 P23141 1/20 0.52
ALDH1A1 P00352 4/20 0.51
GAA P10253 1/20 0.51
NPC1 O15118 1/20 0.49
GSK3B P49841 2/20 0.48
PTPN1 P18031 2/20 0.48
TRPA1 O75762 1/20 0.48
HIF1A Q16665 1/20 0.48
L3MBTL1 Q9Y468 5/20 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
Hydrochloric Acid SCHEMBL11113571 0.98 TSHR (0.62) TSHRKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL11021138 0.84 ERCC5 (0.55) TSHRSMN1; SMN2HPGDL3MBTL1POLB
SCHEMBL10824909 0.84 ALDH1A1 (0.50) TSHRKMT2AMEN1MAPTHPGD
SCHEMBL11113567 0.84 TSHR (0.55) TSHRKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL17238643 0.83 TSHR (0.63) TSHRKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL15422357 0.83 TSHR (0.63) TSHRKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL10918888 0.82 POLB (0.55) TSHRKMT2AMAPTALOX15ALDH1A1
SCHEMBL5313340 0.80 TSHR (0.72) TSHRKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL11220212 0.80 KMT2A (0.70) TSHRKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL8898345 0.79 TSHR (0.59) TSHRKMT2AMEN1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0138349-B1 3-BENZOYL-2-MERCAPTOPROPIONIC ACID DERIVATIES TAISHO PHARMACEUTICAL CO. LTD (JP) 1986-11-12 EP claimed
US-4594197-A 3-benzoyl-2-mercaptopropionic acid derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 1986-06-10 US claimed
EP-0138349-A1 3-Benzoyl-2-mercaptopropionic acid derivaties TAISHO PHARMACEUTICAL CO. LTD (JP) 1985-04-24 EP claimed
EP-0088585-B1 3-BENZOYL-2-MERCAPTOPROPIONIC ACID DERIVATIVES TAISHO PHARMACEUTICAL CO. LTD (JP) 1985-01-23 EP claimed
US-4472316-A ANTILIPEMIC AGNETS TAISHO PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US claimed
EP-0088585-A1 3-Benzoyl-2-mercaptopropionic acid derivatives TAISHO PHARMACEUTICAL CO. LTD (JP) 1983-09-14 EP claimed
US-5330737-A Nitrogen-sulfur ligands as opiate receptor drug mimics MALLINCKRODT MEDICAL, INC. (US) 1994-07-19 US disclosed
EP-0138349-B1 3-BENZOYL-2-MERCAPTOPROPIONIC ACID DERIVATIES TAISHO PHARMACEUTICAL CO. LTD (JP) 1986-11-12 EP disclosed
US-4594197-A 3-benzoyl-2-mercaptopropionic acid derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 1986-06-10 US disclosed
US-4594197-A 3-benzoyl-2-mercaptopropionic acid derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 1986-06-10 US disclosed
US-4594197-A 3-benzoyl-2-mercaptopropionic acid derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 1986-06-10 US disclosed
EP-0138349-A1 3-Benzoyl-2-mercaptopropionic acid derivaties TAISHO PHARMACEUTICAL CO. LTD (JP) 1985-04-24 EP disclosed
EP-0138349-A1 3-Benzoyl-2-mercaptopropionic acid derivaties TAISHO PHARMACEUTICAL CO. LTD (JP) 1985-04-24 EP disclosed
US-4472316-A ANTILIPEMIC AGNETS TAISHO PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US disclosed
EP-0032748-B1 THIOPHENE DERIVATIVES UBE INDUSTRIES, LTD. (JP) 1984-08-01 EP disclosed
US-4460601-A Dipeptides having a methionine residue and possessing a protective action for the liver MAGGIONI FARMACEUTICI, S.P.A. (IT) 1984-07-17 US disclosed
US-4421761-A FUNGICIDES HOKKO CHEMICAL INDUSTRY CO. LTD. (JP) 1983-12-20 US disclosed
EP-0088585-A1 3-Benzoyl-2-mercaptopropionic acid derivatives TAISHO PHARMACEUTICAL CO. LTD (JP) 1983-09-14 EP disclosed
EP-0088585-A1 3-Benzoyl-2-mercaptopropionic acid derivatives TAISHO PHARMACEUTICAL CO. LTD (JP) 1983-09-14 EP disclosed
EP-0032748-A1 Thiophene derivatives UBE INDUSTRIES, LTD. (JP) 1981-07-29 EP disclosed