SCHEMBL8938592

SCHEMBL8938592

NCCCC(CSN=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.41
ECE1 P42892 2/20 0.37
BMP1 P13497 1/20 0.37
MME P08473 1/20 0.37
KMT2A Q03164 1/20 0.36
CA2 P00918 5/20 0.35
CA1 P00915 4/20 0.35
CPB2 Q96IY4 2/20 0.35
NOD1 Q9Y239 1/20 0.34
RIMKLA Q8IXN7 1/20 0.33
NAALAD2 Q9Y3Q0 1/20 0.33

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
SCHEMBL8938584 1.00 FOLH1 (0.41) FOLH1ECE1BMP1MMEKMT2A
SCHEMBL7434672 0.88 FOLH1 (0.47) FOLH1ECE1CA2CA1CPB2
SCHEMBL7434665 0.88 FOLH1 (0.47) FOLH1ECE1CA2CA1CPB2
SCHEMBL7434561 0.86 TGFBR1 (0.41) FOLH1MMECA2CA1CPB2
SCHEMBL7434568 0.86 TGFBR1 (0.41) FOLH1MMECA2CA1CPB2
SCHEMBL8938646 0.84 FNTA (0.43)
SCHEMBL8938649 0.84 FNTA (0.43)
SCHEMBL11333852 0.82 CPB2 (0.53) FOLH1ECE1BMP1MMEKMT2A
SCHEMBL7431713 0.82 FOLH1 (0.41) FOLH1MMEKMT2A
SCHEMBL7431705 0.82 FOLH1 (0.41) FOLH1MMEKMT2A

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 5 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
WO-1989012627-A1 S-NITROSO DERIVATIVES OF ACE INHIBITORS AND THE USE THEREOF BRIGHAM AND WOMEN'S HOSPITAL (US) 1989-12-28 WO disclosed