SCHEMBL11113484

SCHEMBL11113484

CSCC[C@H](NC(=O)CCSC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.59
FNTB P49356 5/20 0.59
LTA4H P09960 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
CA2 P00918 2/20 0.47
CA1 P00915 1/20 0.47
ALDH1A1 P00352 2/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL11106357 0.90 FNTA (0.48) FNTAFNTBCA2CA1ALDH1A1
SCHEMBL11108513 0.87 PPID (0.50) FNTAFNTBALDH1A1TP53
SCHEMBL2322946 0.84 FNTA (0.61) FNTAFNTBLTA4HNPSR1CA2
SCHEMBL11267806 0.83 FOLH1 (0.48) LTA4HNPSR1
SCHEMBL11285335 0.83 MAPT (0.44) FNTAFNTBCA2CA1ALDH1A1
SCHEMBL11278576 0.83 FNTA (0.52) FNTAFNTBCA2CA1ALDH1A1
SCHEMBL11111423 0.82 FNTA (0.51) FNTAFNTBLTA4HNPSR1ALDH1A1
SCHEMBL2333601 0.82 FNTA (0.59) FNTAFNTBLTA4HNPSR1CA2
SCHEMBL11274797 0.82 ACE (0.61) NPSR1
SCHEMBL11283051 0.81 ALDH1A1 (0.46) FNTAFNTBCA2CA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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-4339600-A ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1982-07-13 US disclosed
US-4199512-A Compounds for alleviating hypertension E. R. SQUIBB & SONS, INC. (US) 1980-04-22 US disclosed
US-4173704-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1979-11-06 US disclosed
US-4140797-A MERCAPTOACYL AMINO ACIDS, ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-02-20 US disclosed
US-4140786-A ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-02-20 US disclosed
US-4112119-A MERCAPTOACYL AMINOACIDS E. R. SQUIBB & SONS, INC. (US) 1978-09-05 US disclosed
US-4053651-A MERCAPTOACYL AMINO ACIDS, ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1977-10-11 US disclosed