SCHEMBL7368245

SCHEMBL7368245

CC(CSc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.59
MTNR1B P49286 4/20 0.59
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
FFAR1 O14842 1/20 0.50
APAF1 O14727 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MMP2 P08253 3/20 0.43
MMP3 P08254 3/20 0.43
MMP9 P14780 3/20 0.43
MMP13 P45452 2/20 0.43
MMP1 P03956 1/20 0.43
MMP8 P22894 1/20 0.43
MAPK1 P28482 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL12240333 0.85 HPGD (0.49) MTNR1AMTNR1BALDH1A1MAPK1RAB9A
SCHEMBL7391939 0.82 FFAR1 (0.52) MTNR1AMTNR1BMAOAMAOBFFAR1
SCHEMBL11522445 0.82 MAOA (0.59) MTNR1AMTNR1BMAOAMAOBFFAR1
SCHEMBL7391935 0.82 FFAR1 (0.52) MTNR1AMTNR1BMAOAMAOBFFAR1
SCHEMBL1496593 0.81 MAOA (0.63) MTNR1AMTNR1BMAOAMAOBFFAR1
SCHEMBL12471013 0.81 ALDH1A1 (0.50) MTNR1AMTNR1BMAOAMAOBFFAR1
SCHEMBL12264723 0.80 MMP2 (0.49) MTNR1AMTNR1BALDH1A1MMP2NPC1
SCHEMBL3175997 0.80 MTNR1A (0.51) MTNR1AMTNR1BMAOAMAOBFFAR1
SCHEMBL23190984 0.79 MMP2 (0.56) MTNR1AMTNR1BMAOAMAOBFFAR1
Hydrogen Sulfide SCHEMBL11853223 0.79 MAOA (0.61) MTNR1AMTNR1BMAOAMAOBFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57188563-A None JP disclosed
EP-4334287-A1 NLRP3 INFLAMMASOME-INHIBITING COMPOUNDS AND THE USE THEREOF Università Degli Studi Di Torino (IT) 2024-03-13 EP disclosed
WO-2022234447-A1 NLRP3 INFLAMMASOME-INHIBITING COMPOUNDS AND THE USE THEREOF UNIVERSITA' DEGLI STUDI DI TORINO (IT) 2022-11-10 WO disclosed
US-6235928-B1 ENZYME INHIBITOR MATRIX METALLOPROTEINASE FAMILY, INCLUDING COLLAGENASE, STROMELYSIN, AND GELATINASE, THE COMPOUNDS OR PHARMACEUTICAL COMPOSITIONS PHARMACIA & UPJOHN COMPANY 2001-05-22 US disclosed
EP-0929519-A1 $g(b)-SULFONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1999-07-21 EP disclosed
WO-1998013340-A1 β-SULFONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1998-04-02 WO disclosed
EP-0229384-B1 Beta-lactam compounds and their production SUMITOMO PHARMA (JP) 1994-08-10 EP disclosed
US-5134231-A Chemical intermediates for 1-alkylcarbapenem compounds SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1992-07-28 US disclosed
US-4839367-A Antihypertensive amide compounds RORER PHARMACEUTICAL CORPORATION (US) 1989-06-13 US disclosed
EP-0229384-A2 Beta-lactam compounds and their production SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1987-07-22 EP disclosed
US-4619944-A AMIDES USV PHARMACEUTICAL CORPORATION (US) 1986-10-28 US disclosed
US-4507316-A Antihypertensive compounds USV PHARMACEUTICAL CORPORATION (US) 1985-03-26 US disclosed
EP-0066254-A1 Mercapto amino acids, process for their preparation and pharmaceutical compositions containing them USV PHARMACEUTICAL CORPORATION (US) 1982-12-08 EP disclosed
JP-S57188563-A PREPARATION OF OPTICALLY ACTIVE 3-BENZOYLTHIO-2-METHYL- PROPIONIC ACID TANABE SEIYAKU CO LTD 1982-11-19 JP disclosed