SCHEMBL268742

SCHEMBL268742

CC(=O)OC(=O)[C@H](CCCCN)NCC=N

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
CPB2 Q96IY4 3/20 0.33
FOLH1 Q04609 1/20 0.33
ANPEP P15144 1/20 0.33
SLC6A5 Q9Y345 1/20 0.32
TLR2 O60603 3/20 0.31
GSR P00390 1/20 0.31
KLKB1 P03952 1/20 0.30
PAOX Q6QHF9 2/20 0.30
RNPEP Q9H4A4 1/20 0.30

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
Acetic Acid SCHEMBL268741 0.81 FOLH1 (0.45) SIRT6SIRT1CPB2FOLH1SLC6A5
SCHEMBL677964 0.79 SIRT6 (0.39) SIRT6SIRT1CPB2FOLH1ANPEP
SCHEMBL6676701 0.79 FOLH1 (0.49) CPB2FOLH1SLC6A5TLR2GSR
SCHEMBL45766 0.79 FOLH1 (0.49) CPB2FOLH1SLC6A5TLR2GSR
Hydrochloric Acid SCHEMBL15923088 0.77 FOLH1 (0.47) CPB2FOLH1SLC6A5TLR2GSR
Trifluoroacetic Acid SCHEMBL8821904 0.77 CPB2 (0.40) CPB2FOLH1ANPEPSLC6A5
SCHEMBL4902767 0.75 SIRT1 (0.40) SIRT6SIRT1CPB2FOLH1SLC6A5
SCHEMBL232126 0.73 FOLH1 (0.42) CPB2FOLH1SLC6A5TLR2GSR
SCHEMBL11015277 0.73 SIRT6 (0.34) SIRT6SIRT1CPB2FOLH1TLR2
SCHEMBL3433410 0.73 FOLH1 (0.42) CPB2FOLH1SLC6A5TLR2GSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180318307-A1 METHODS OF USE OF INHIBITORS OF PHOSPHODIESTERASES AND MODULATORS OF NITRIC OXIDE, REACTIVE OXYGEN SPECIES, AND METALLOPROTEINASES IN THE TREATMENT OF PEYRONIE'S DISEASE, ARTERIOSCLEROSIS AND OTHER FIBROTIC DISEASES LOS ANGELES BIOMEDICAL RES INSTITUTE AT HARBO (US) 2018-11-08 US disclosed
US-20170239257-A1 Methods of Use of Inhibitors of Phosphodiesterases and Modulators of Nitric Oxide, Reactive Oxygen Species, and Metalloproteinases in the Treatment of Peyronie's Disease, Arteriosclerosis and Other Fibrotic Diseases LOS ANGELES BIOMEDICAL RES INST AT HARBOR- UCLA MEDICAL CENTER (US) 2017-08-24 US disclosed
US-20140350021-A1 Methods of Use of Inhibitors of Phosphodiesterases and Modulators of Nitric Oxide, Reactive Oxygen Species, and Metalloproteinases in the Treatment of Peyronie's Disease, Arteriosclerosis and Other Fibrotic Diseases LOS ANGELES BIOMED RES INST (US) 2014-11-27 US disclosed
US-20140200219-A1 Methods of Use of Inhibitors of Phosphodiesterases and Modulators of Nitric Oxide, Reactive Oxygen Species, and Metalloproteinases in the Treatment of Peyronie's Disease, Arteriosclerosis and Other Fibrotic Diseases LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2014-07-17 US disclosed
US-20120141454-A1 Methods of Use of Inhibitors of Phosphodiesterases and Modulators of Nitric Oxide, Reactive Oxygen Species, and Metalloproteinases in the Treatment of Peyronie's Disease, Arteriosclerosis and Other Fibrotic Diseases LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2012-06-07 US disclosed
US-8133903-B2 Methods of use of inhibitors of phosphodiesterases and modulators of nitric oxide, reactive oxygen species, and metalloproteinases in the treatment of peyronie's disease, arteriosclerosis and other fibrotic diseases Los Angeles Biomedical Research Institute at Harbor—UCLA Medical Center (US) 2012-03-13 US disclosed
US-20050085486-A1 Prevention, therapy of fibrosis ; sexual disordrs; wound healing agents; restenosis; hypotensive agents; oxidation resistance LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER 2005-04-21 US disclosed
WO-2004037183-A2 PHOSPHODIESTER INHIBITORS AND NITRIC OXIDE MODULATORS FOR TREATING PEYRONIE’S DISEASE, ARTERIOSCLEROSIS AND OTHER FIBROTIC DISEASES HARBOR-UCLA RESEARCH AND EDUCATION INSTITUTE (US) 2004-05-06 WO disclosed