SCHEMBL8938646

SCHEMBL8938646

CSCC[C@H](NC(=O)[C@H](CCCN)CSN=O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 12/20 0.43
FNTB P49356 12/20 0.43
PGGT1B P53609 12/20 0.43
LTA4H P09960 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL8938649 1.00 FNTA (0.43) FNTAFNTBPGGT1BLTA4HLMNA
SCHEMBL7434672 0.87 FOLH1 (0.47)
SCHEMBL7434665 0.87 FOLH1 (0.47)
SCHEMBL7434561 0.85 TGFBR1 (0.41)
SCHEMBL7434568 0.85 TGFBR1 (0.41)
SCHEMBL7431713 0.84 FOLH1 (0.41) LMNA
SCHEMBL8938592 0.84 FOLH1 (0.41)
SCHEMBL11334875 0.84 CPB2 (0.53) FNTAFNTBPGGT1BLTA4H
SCHEMBL7431705 0.84 FOLH1 (0.41) LMNA
SCHEMBL8938584 0.84 FOLH1 (0.41)

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 6 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-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