SCHEMBL11274797

SCHEMBL11274797

O=C(CCSC(=O)c1ccccc1)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.61
ECE1 P42892 1/20 0.50
PTPN1 P18031 1/20 0.50
NAALAD2 Q9Y3Q0 1/20 0.50
MME P08473 1/20 0.49
FAAH O00519 2/20 0.48
GPR132 Q9UNW8 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 1/20 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
SCHEMBL11278576 0.85 FNTA (0.52) ACE
SCHEMBL11285335 0.85 MAPT (0.44) ACEMME
SCHEMBL11267806 0.83 FOLH1 (0.48) ACEMMENPSR1
SCHEMBL11283051 0.83 ALDH1A1 (0.46) ACE
SCHEMBL11113484 0.82 FNTA (0.59) NPSR1
SCHEMBL10950435 0.81 PTPN1 (0.46) ACEPTPN1NAALAD2MMEGPR132
SCHEMBL11069816 0.80 ACE (0.71) ACEECE1NAALAD2MMEFAAH
SCHEMBL11489711 0.80 AGTR2 (0.53)
SCHEMBL11489707 0.80 ACE (0.41) ACEGPR132
SCHEMBL2806565 0.79 FAAH (0.67) ACENAALAD2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-4140786-A ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-02-20 US disclosed
US-4140797-A MERCAPTOACYL AMINO ACIDS, 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