SCHEMBL7224574

SCHEMBL7224574

COC(=O)ONCCCC[C@H](NC(C)=N)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 12/20 0.47
SMN1; SMN2 Q16637 2/20 0.40
ALB P02768 2/20 0.38
GNPAT O15228 1/20 0.37
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
PTGS2 P35354 1/20 0.35
THPO P40225 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
ALDH1A1 P00352 1/20 0.34
NOD1 Q9Y239 1/20 0.34
TGM2 P21980 1/20 0.33

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
SCHEMBL7220177 0.85 FOLH1 (0.45) FOLH1SMN1; SMN2
SCHEMBL7225560 0.85 FOLH1 (0.42) FOLH1SMN1; SMN2ALBGNPATTGM2
SCHEMBL7909555 0.82 FOLH1 (0.42) FOLH1SMN1; SMN2ALBGNPATTGM2
SCHEMBL7911817 0.80 FOLH1 (0.41) FOLH1GNPAT
SCHEMBL15691994 0.80 FOLH1 (0.50) FOLH1SMN1; SMN2ALBGNPATKDM4E
SCHEMBL7226620 0.78 FOLH1 (0.42) FOLH1ALBGNPATTGM2
Acetic Acid SCHEMBL268740 0.78 FOLH1 (0.57) FOLH1GNPAT
SCHEMBL7219248 0.76 FOLH1 (0.49) FOLH1ALBGNPATTGM2
SCHEMBL214641 0.76 FOLH1 (0.58) FOLH1GNPAT
SCHEMBL45765 0.76 FOLH1 (0.58) FOLH1GNPAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6576780-B1 Hydroxyamidino derivatives useful as nitric oxide synthase inhibitors GD SEARLE & COMPANY 2003-06-10 US disclosed
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
EP-0885188-A1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-12-23 EP disclosed
WO-1997032844-A9 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS 1997-12-24 WO disclosed
WO-1997032844-A1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1997-09-12 WO disclosed