SCHEMBL7909555

SCHEMBL7909555

COC(=O)O/N=C(/C)N[C@@H](CCCCNOC(=O)OC)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 14/20 0.42
SMN1; SMN2 Q16637 1/20 0.36
ALB P02768 2/20 0.34
GNPAT O15228 1/20 0.33
CD274 Q9NZQ7 1/20 0.32
TGM2 P21980 1/20 0.31

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
SCHEMBL7224520 0.82 FOLH1 (0.49) FOLH1GNPAT
SCHEMBL7224522 0.82 FOLH1 (0.49) FOLH1GNPAT
SCHEMBL7218263 0.82 FOLH1 (0.38) FOLH1SMN1; SMN2ALBTGM2
SCHEMBL7224574 0.82 FOLH1 (0.47) FOLH1SMN1; SMN2ALBGNPATTGM2
SCHEMBL7908794 0.77 C3AR1 (0.41) FOLH1SMN1; SMN2
SCHEMBL15691994 0.74 FOLH1 (0.50) FOLH1SMN1; SMN2ALBGNPATCD274
SCHEMBL7226873 0.72 FOLH1 (0.50) FOLH1
SCHEMBL7226878 0.72 FOLH1 (0.50) FOLH1
SCHEMBL7232936 0.71 FOLH1 (0.49) FOLH1
SCHEMBL7232934 0.71 FOLH1 (0.49) FOLH1

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 3 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 disclosed
EP-0885188-B1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2000-09-27 EP disclosed
WO-1997032844-A9 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS 1997-12-24 WO disclosed