SCHEMBL11271279

SCHEMBL11271279

O=C(CCS)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.68
ALOX15 P16050 1/20 0.65
ITGB2 P05107 1/20 0.64
ICAM1 P05362 1/20 0.64
ITGAL P20701 1/20 0.64
ECE1 P42892 5/20 0.63
ERAP2 Q6P179 1/20 0.62

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
SCHEMBL11491748 1.00 ACE (0.68) ACEALOX15ITGB2ICAM1ITGAL
SCHEMBL11495529 0.90 ACE (0.71) ACEALOX15ITGB2ICAM1ITGAL
SCHEMBL11495534 0.90 ACE (0.71) ACEALOX15ITGB2ICAM1ITGAL
SCHEMBL31520113 0.89 ACE (0.67) ACEALOX15ITGB2ICAM1ITGAL
SCHEMBL11382215 0.89 ALOX15 (0.70) ACEALOX15ITGB2ICAM1ITGAL
SCHEMBL19051476 0.89 ACE (0.67) ACEALOX15ITGB2ICAM1ITGAL
SCHEMBL4270030 0.89 ERAP2 (0.67) ACEALOX15ITGB2ICAM1ITGAL
SCHEMBL11382213 0.89 ALOX15 (0.70) ACEALOX15ITGB2ICAM1ITGAL
SCHEMBL28401650 0.88 ALOX15 (0.69) ACEALOX15ITGB2ICAM1ITGAL
SCHEMBL28401652 0.88 ALOX15 (0.69) ACEALOX15ITGB2ICAM1ITGAL

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
US-4199512-A Compounds for alleviating hypertension E. R. SQUIBB & SONS, INC. (US) 1980-04-22 US claimed
US-4140786-A ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-02-20 US claimed
WO-2021255156-A1 NOVEL DIPEPTIDE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND A NOVEL THERAPEUTIC USE OF DIPEPTIDE COMPOUNDS Universite Paris-Saclay (FR) 2021-12-23 WO 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