SCHEMBL7901824

SCHEMBL7901824

COC(=O)OC/N=C(\C)NCCCC[C@H](NO)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 10/20 0.42
ALB P02768 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TGM2 P21980 3/20 0.33
SIRT6 Q8N6T7 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 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
SCHEMBL7909550 0.87 FOLH1 (0.38) FOLH1ALBSMN1; SMN2TGM2SIRT1
SCHEMBL7908773 0.86 FOLH1 (0.40) FOLH1ALBSMN1; SMN2TGM2
SCHEMBL7915411 0.82 FOLH1 (0.39) FOLH1ALBSIRT1
SCHEMBL7901699 0.79 FOLH1 (0.49) FOLH1ALBSMN1; SMN2
SCHEMBL3438496 0.78 FOLH1 (0.62) FOLH1ALBSMN1; SMN2SIRT6SIRT1
SCHEMBL7901839 0.76 DPP7 (0.36) KDM4EMAPK1HIF1A
SCHEMBL7912005 0.74 FOLH1 (0.45) FOLH1ALBSMN1; SMN2TGM2
SCHEMBL7911993 0.74 FOLH1 (0.45) FOLH1ALBSMN1; SMN2TGM2
SCHEMBL9949256 0.73 FOLH1 (0.55) FOLH1ALBSMN1; SMN2KDM4EMAPK1
SCHEMBL7911959 0.72 FOLH1 (0.48) FOLH1ALBSMN1; SMN2SIRT6SIRT1

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 2 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