SCHEMBL9837855

SCHEMBL9837855

COC(=O)CCC(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
MAPT P10636 2/20 0.53
THRB P10828 1/20 0.53
ALOX15 P16050 1/20 0.53
NFKB1 P19838 1/20 0.53
PTGS2 P35354 1/20 0.53
THPO P40225 1/20 0.53
RECQL P46063 1/20 0.53
BLM P54132 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ACE P12821 1/20 0.49
TSHR P16473 4/20 0.46
FOLH1 Q04609 1/20 0.46
FNTA P49354 2/20 0.44
FNTB P49356 2/20 0.44
PTGS1 P23219 1/20 0.40
GSTK1 Q9Y2Q3 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
GNPAT O15228 1/20 0.39
HSD17B10 Q99714 2/20 0.39

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
SCHEMBL4990899 0.87 KDM4E (0.61) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL29530212 0.84 TGFBR1 (0.55) KDM4ETSHRFNTAFNTBL3MBTL1
SCHEMBL34462053 0.83 KDM4E (0.47) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL29936413 0.81 FOLH1 (0.61) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL29416686 0.81 TSHR (0.45) KDM4EMAPTTSHRL3MBTL1GNPAT
SCHEMBL29638170 0.81 ALDH1A1 (0.55) MAPTTSHRFOLH1MMEALDH1A1
SCHEMBL2350303 0.79 KDM4E (0.59) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL4321775 0.79 KDM4E (0.59) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL2350309 0.79 KDM4E (0.59) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL23758996 0.79 ECE1 (0.47) KDM4ETSHRFOLH1L3MBTL1GNPAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0304778-B1 PROCESS FOR THE PRODUCTION OF N-ACYLATED MERCAPTO-ALPHA-AMINO ACIDS Degussa Aktiengesellschaft (DE) 1991-10-23 EP disclosed
US-4918223-A Method of preparing N-acylated mercapto-alpha-amino acids DEGUSSA AKTIENGESELLSCHAFT (DE) 1990-04-17 US disclosed
EP-0304778-A1 Process for the production of N-acylated mercapto-alpha-amino acids Degussa Aktiengesellschaft (DE) 1989-03-01 EP disclosed