SCHEMBL7440873

SCHEMBL7440873

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.48
ACE P12821 1/20 0.44
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
PTGS2 P35354 1/20 0.40
THPO P40225 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDCD1LG2 Q9BQ51 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
CA2 P00918 2/20 0.32
CA1 P00915 1/20 0.32
FOLH1 Q04609 1/20 0.32

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
SCHEMBL7447971 0.82 ACE (0.47) MMEACEKDM4EMAPTTHRB
SCHEMBL29433928 0.77 MME (0.47) MMEACEKDM4EMAPTTHRB
SCHEMBL2872479 0.76 MME (0.68) MMEACEKDM4EMAPTTHRB
SCHEMBL2872485 0.76 MME (0.68) MMEACEKDM4EMAPTTHRB
SCHEMBL9068733 0.76 MME (0.55) MMEACE
SCHEMBL9068732 0.76 MME (0.55) MMEACE
SCHEMBL9068734 0.76 MME (0.55) MMEACE
SCHEMBL9068731 0.76 MME (0.55) MMEACE
SCHEMBL11324786 0.73 MME (0.52) MMEACEPDCD1LG2CD274CA2
SCHEMBL8528255 0.73 MME (0.52) MMEACEPDCD1LG2CD274CA2

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