SCHEMBL7447971

SCHEMBL7447971

C[C@H](NC(=O)[C@@H](CS)NN=O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.47
MME P08473 9/20 0.45
CPA1 P15085 1/20 0.45
ACE2 Q9BYF1 1/20 0.45
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.43
NFKB1 P19838 1/20 0.43
PTGS2 P35354 1/20 0.43
THPO P40225 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LTA4H P09960 2/20 0.35

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
SCHEMBL7440873 0.82 MME (0.48) ACEMMEKDM4EMAPTTHRB
SCHEMBL29392579 0.79 KDM4E (0.66) ACEMMECPA1ACE2KDM4E
SCHEMBL26437664 0.77 MME (0.50) ACEMMECPA1ACE2KDM4E
SCHEMBL1775718 0.77
SCHEMBL1830619 0.77
SCHEMBL57052 0.77
SCHEMBL24943490 0.76 MME (0.49) ACEMMECPA1ACE2KDM4E
SCHEMBL29354323 0.76 ACE (0.51) ACEMMECPA1ACE2KDM4E
SCHEMBL29723170 0.76 ACE (0.51) ACEMMECPA1ACE2KDM4E
SCHEMBL20224669 0.76 MME (0.49) ACEMMECPA1ACE2KDM4E

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
WO-1989012627-A1 S-NITROSO DERIVATIVES OF ACE INHIBITORS AND THE USE THEREOF BRIGHAM AND WOMEN'S HOSPITAL (US) 1989-12-28 WO claimed
US-5536723-A VASODILATORS BRIGHAM & WOMEN'S HOSPITAL (US) 1996-07-16 US disclosed
US-5356890-A Angiotensin converting enzyme BRIGHAM AND WOMEN'S HOSPITAL (US) 1994-10-18 US disclosed
US-5187183-A Cardiovascular-renal disease; anticoagulants, hypotensive agents; vasodilators; pregnancy toxemia; sclerodema; angiotensin-converting-enzyme inhibitors BRIGHAM & WOMEN'S HOSPITAL (US) 1993-02-16 US disclosed
US-5025001-A S-nitroso derivatives of ACE inhibitors and the use thereof BRIGHAM AND WOMEN'S HOSPITAL (US) 1991-06-18 US disclosed
US-5002964-A S-nitrosocaptopril compounds and the use thereof BRIGHAM & WOMEN'S HOSPITAL (US) 1991-03-26 US disclosed
WO-1989012627-A1 S-NITROSO DERIVATIVES OF ACE INHIBITORS AND THE USE THEREOF BRIGHAM AND WOMEN'S HOSPITAL (US) 1989-12-28 WO disclosed