SCHEMBL7304512

SCHEMBL7304512

CCC(C)C(SC(C)=O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
ACE P12821 3/20 0.36
MME P08473 2/20 0.36
CPA1 P15085 2/20 0.36
ACE2 Q9BYF1 2/20 0.36
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.32
TP53 P04637 1/20 0.31
CA2 P00918 1/20 0.30
MAPK1 P28482 1/20 0.30
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8883842 1.00 ALDH1A1 (0.37) ALDH1A1ACEMMECPA1ACE2
SCHEMBL8692002 1.00 ALDH1A1 (0.37) ALDH1A1ACEMMECPA1ACE2
SCHEMBL15974698 0.78 FFAR3 (0.35) ALDH1A1TSHRTP53
SCHEMBL28427435 0.77 ALDH1A1 (0.39) ALDH1A1ACEMMECPA1ACE2
SCHEMBL7263270 0.77 TP53 (0.36) TSHRTP53MEN1HPGDKMT2A
SCHEMBL6894525 0.77 HTT (0.47) ALDH1A1HTTCA2MAPK1
SCHEMBL7309246 0.77 TP53 (0.36) TSHRTP53MEN1HPGDKMT2A
SCHEMBL4457494 0.77 HTT (0.47) ALDH1A1HTTCA2MAPK1
SCHEMBL8883435 0.73 TP53 (0.33) TSHRTP53
SCHEMBL4885843 0.71 HTT (0.36) ALDH1A1HTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1170832-C Substituted thiazol [3,2-alpha] azatropylidene derivatives ������������ʽ���� 2004-10-13 CN disclosed
CN-1262275-A Substituted thiazol [3,2-alpha] azatropylidene derivatives EISAI CO LTD (JP) 2000-08-09 CN disclosed
CN-1053908-C Substituted thiazolo [3, 2-alpha ] aza * derivatives EISAI CO LTD (JP) 2000-06-28 CN disclosed
US-5801274-A N- mercaptoacyl(amino acid or peptide)! compounds and S-lipophilic aliphatic carbonyl derivatives thereof as antihypertensives INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-09-01 US disclosed
US-5591891-A PEPTIDASE INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-01-07 US disclosed
CN-1134152-A Substituted thiazolo [3, 2-alpha ] aza * derivatives EISAI CO LTD (JP) 1996-10-23 CN disclosed
WO-1994017036-A1 S-LIPOPHILIC ALIPHATIC CARBONYL [N-MERCAPTOACYL-(AMINO ACID OR PEPTIDE)] COMPOUNDS AS ANTIHYPERTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1994-08-04 WO disclosed
EP-0595878-A1 ACYLMERCAPTOALKANOYLDIPEPTIDES, METHODS OF PREPARATION AND THEIR THERAPEUTIC USE INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1994-05-11 EP disclosed
WO-1993002099-A1 ACYLMERCAPTOALKANOYLDIPEPTIDES, METHODS OF PREPARATION AND THEIR THERAPEUTIC USE INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1993-02-04 WO disclosed
EP-0524553-A1 Acylmercaptoalkanoyldipeptides, methods of preparation and their therapeutic use INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1993-01-27 EP disclosed