SCHEMBL7915411

SCHEMBL7915411

C/C(=N/COC(=O)c1ccccc1)NCCCC[C@H](NO)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 9/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
ALB P02768 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KMT2A Q03164 1/20 0.36

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 0.82 FOLH1 (0.42) FOLH1SIRT1ALB
SCHEMBL7915415 0.81 DPP8 (0.37) MMP2TDP1SLC6A2SLC6A3KMT2A
SCHEMBL7909550 0.80 FOLH1 (0.38) FOLH1SIRT2SIRT1MMP2MMP9
SCHEMBL7908773 0.79 FOLH1 (0.40) FOLH1ALB
SCHEMBL7908736 0.78 FOLH1 (0.41) FOLH1SIRT2SIRT1
SCHEMBL7908742 0.78 FOLH1 (0.41) FOLH1SIRT2SIRT1
SCHEMBL7901699 0.72 FOLH1 (0.49) FOLH1ALB
SCHEMBL7224728 0.72 FOLH1 (0.43) FOLH1SIRT2SIRT1TDP1
SCHEMBL15249558 0.70 FOLH1 (0.71) FOLH1SIRT2SIRT1MMP2MMP9
SCHEMBL7225511 0.69 TNF (0.41) TDP1KMT2A

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