SCHEMBL7419152

SCHEMBL7419152

NC(COCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 3/20 0.60
TACR1 P25103 2/20 0.51
ALDH1A1 P00352 3/20 0.50
IDO1 P14902 1/20 0.49
CA1 P00915 3/20 0.49
KMT2A Q03164 2/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TSHR P16473 1/20 0.47
SLC15A1 P46059 1/20 0.47
LTA4H P09960 1/20 0.47
LAP3 P28838 1/20 0.47
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 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
SCHEMBL7419155 1.00 SLC1A1 (0.60) SLC1A1TACR1ALDH1A1IDO1CA1
Hydrochloric Acid SCHEMBL11024444 0.98 SLC1A1 (0.59) SLC1A1TACR1ALDH1A1IDO1CA1
Hydrochloric Acid SCHEMBL29556904 0.98 SLC1A1 (0.59) SLC1A1TACR1ALDH1A1IDO1CA1
Hydrochloric Acid SCHEMBL20996762 0.98 SLC1A1 (0.59) SLC1A1TACR1ALDH1A1IDO1CA1
SCHEMBL7310424 0.89 SLC1A1 (0.56) SLC1A1TACR1ALDH1A1CA1KMT2A
SCHEMBL13198428 0.89 SLC1A1 (0.56) SLC1A1TACR1ALDH1A1CA1KMT2A
SCHEMBL16200527 0.88 SLC1A1 (0.59) SLC1A1TACR1ALDH1A1IDO1CA1
SCHEMBL23947614 0.88 ALDH1A1 (0.52) SLC1A1ALDH1A1IDO1KMT2AMAPK1
Hydrochloric Acid SCHEMBL7307012 0.87 SLC1A1 (0.55) SLC1A1TACR1ALDH1A1IDO1CA1
SCHEMBL2059074 0.87 SLC1A1 (0.57) SLC1A1TACR1ALDH1A1CA1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0609310-B1 N-(MERCAPTOACYL)AMINO ACIDS, METHODS OF THEIR PREPARATION AND THERAPEUTIC USE, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM INST NAT SANTE RECH MED (FR) 1998-07-29 EP disclosed
US-5591891-A PEPTIDASE INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-01-07 US disclosed
EP-0609310-A1 N-(MERCAPTOACYL)AMINO ACIDS, METHODS OF THEIR PREPARATION AND THERAPEUTIC USE, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1994-08-10 EP 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-0539848-A1 N-(mercaptoacyl)amino acids, methods of their preparation and therapeutic use, and pharmaceutical compositions containing them INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1993-05-05 EP disclosed
WO-1993008162-A1 N-(MERCAPTOACYL)AMINO ACIDS, METHODS OF THEIR PREPARATION AND THERAPEUTIC USE, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1993-04-29 WO disclosed
EP-0074488-B1 2-AZIDO-3-BENZYLOXY-PROPIONIC-ACID BENZYL ESTER, PROCESS FOR ITS PREPARATION AND ITS USE Degussa Aktiengesellschaft (DE) 1985-04-03 EP disclosed