SCHEMBL7912042

SCHEMBL7912042

CC(=NO)NCCCC[C@H](NC(=O)OCCN)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.43
TGM2 P21980 10/20 0.43
SIRT1 Q96EB6 4/20 0.41
SIRT2 Q8IXJ6 3/20 0.41
CPB1 P15086 1/20 0.40
CPB2 Q96IY4 1/20 0.40
SIRT6 Q8N6T7 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
SIRT3 Q9NTG7 2/20 0.37

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
SCHEMBL7225427 1.00 FOLH1 (0.43) FOLH1TGM2SIRT1SIRT2CPB1
SCHEMBL8193137 0.89 SIRT1 (0.39) FOLH1TGM2SIRT1SIRT2CPB2
SCHEMBL7227342 0.81 FOLH1 (0.52) FOLH1SIRT1CPB2SIRT6
SCHEMBL7911445 0.81 FOLH1 (0.52) FOLH1SIRT1CPB2SIRT6
SCHEMBL7220466 0.80 MEN1 (0.50) FOLH1TGM2
SCHEMBL7909709 0.80 SLC6A5 (0.51) FOLH1SIRT1SIRT6
SCHEMBL7974986 0.80 MEN1 (0.50) FOLH1TGM2
SCHEMBL7225493 0.80 SLC6A5 (0.51) FOLH1SIRT1SIRT6
SCHEMBL7911811 0.80 MEN1 (0.50) FOLH1TGM2
SCHEMBL8707548 0.79 FOLH1 (0.40) FOLH1TGM2SIRT1SIRT2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6207708-B1 FOR THERAPY AND PROPHYLAXIS OF AUTOIMMUNE AND/OR INFLAMMATORY CONDITIONS AFFECTING THE JOINTS SUCH AS ARTHRITIS, AND INFLAMMATORY BOWEL DISEASE, CARDIVASCULAR ISCHEMIA, DIABETES, CONGESTIVE HEART FAILURE, MYOCARDITIS, ATHEROSCLEROSIS, G. D. SEARLE & COMPANY 2001-03-27 US claimed
EP-0885188-B1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2000-09-27 EP claimed
EP-0885188-A1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-12-23 EP claimed
WO-1997032844-A1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1997-09-12 WO claimed