SCHEMBL7909550

SCHEMBL7909550

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.38
TGM2 P21980 5/20 0.34
ALB P02768 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 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
SCHEMBL7901824 0.87 FOLH1 (0.42) FOLH1TGM2ALBSMN1; SMN2SIRT1
SCHEMBL7908773 0.84 FOLH1 (0.40) FOLH1TGM2ALBSMN1; SMN2
SCHEMBL7915411 0.80 FOLH1 (0.39) FOLH1ALBSIRT2SIRT1MMP2
SCHEMBL7909552 0.78 DPP7 (0.35)
SCHEMBL7901699 0.77 FOLH1 (0.49) FOLH1ALBSMN1; SMN2
SCHEMBL7911894 0.75 FOLH1 (0.40) FOLH1TGM2ALBSMN1; SMN2SIRT2
SCHEMBL7911902 0.75 FOLH1 (0.40) FOLH1TGM2ALBSMN1; SMN2SIRT2
SCHEMBL8707548 0.74 FOLH1 (0.40) FOLH1TGM2SMN1; SMN2SIRT2SIRT1
SCHEMBL3438496 0.73 FOLH1 (0.62) FOLH1ALBSMN1; SMN2SIRT1
SCHEMBL7911959 0.70 FOLH1 (0.48) FOLH1ALBSMN1; SMN2SIRT1

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