SCHEMBL7908794

SCHEMBL7908794

C/C(=N\OC(=O)c1ccccc1)N[C@@H](CCCCNOC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
FOLH1 Q04609 12/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
TNF P01375 1/20 0.37
KLF5 Q13887 1/20 0.37
NOD1 Q9Y239 1/20 0.37
XDH P47989 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
SCHEMBL7225509 0.85 MMP2 (0.44) C3AR1SMN1; SMN2FOLH1MAPTPKM
SCHEMBL7225506 0.85 MMP2 (0.44) C3AR1SMN1; SMN2FOLH1MAPTPKM
SCHEMBL7911817 0.85 FOLH1 (0.41) C3AR1FOLH1
SCHEMBL18929640 0.80 ALDH1A1 (0.41) FOLH1MAPTPKM
SCHEMBL18402517 0.80 ALDH1A1 (0.41) FOLH1MAPTPKM
SCHEMBL18929641 0.79 PPARA (0.55)
SCHEMBL7909555 0.77 FOLH1 (0.42) SMN1; SMN2FOLH1
SCHEMBL7908797 0.76 SMN1; SMN2 (0.36) SMN1; SMN2MAPTPKMCDK5CDK5R1
SCHEMBL7218263 0.75 FOLH1 (0.38) SMN1; SMN2FOLH1
SCHEMBL7220221 0.75 FOLH1 (0.40) FOLH1

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 3 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
WO-1997032844-A9 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS 1997-12-24 WO disclosed