SCHEMBL7908736

SCHEMBL7908736

C/C(=N\O)NCCCC[C@H](NCOC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 14/20 0.41
C3AR1 Q16581 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
TLR2 O60603 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
CPB1 P15086 1/20 0.38
CPB2 Q96IY4 1/20 0.38
TGM2 P21980 1/20 0.37

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
SCHEMBL7908742 1.00 FOLH1 (0.41) FOLH1C3AR1SIRT2SIRT1TLR2
SCHEMBL7224812 0.83 FOLH1 (0.43) FOLH1SIRT2SIRT1TGM2
SCHEMBL7901774 0.83 FOLH1 (0.43) FOLH1SIRT2SIRT1TGM2
SCHEMBL7224728 0.83 FOLH1 (0.43) FOLH1C3AR1SIRT2SIRT1
SCHEMBL7911993 0.82 FOLH1 (0.45) FOLH1TGM2
SCHEMBL7912005 0.82 FOLH1 (0.45) FOLH1TGM2
SCHEMBL7909229 0.80 FOLH1 (0.43) FOLH1
SCHEMBL7911902 0.80 FOLH1 (0.40) FOLH1SIRT2SIRT1CPB1CPB2
SCHEMBL7909235 0.80 FOLH1 (0.43) FOLH1
SCHEMBL7911894 0.80 FOLH1 (0.40) FOLH1SIRT2SIRT1CPB1CPB2

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