SCHEMBL7651080

SCHEMBL7651080

CCOC(=O)CC(NC(=O)CN1CCN(c2ccc(C(N)=NO)cc2)CC1=O)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.43
ITGB3 P05106 5/20 0.41
ITGA2B P08514 5/20 0.41
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 3/20 0.32
ALOX15 P16050 1/20 0.32
MAPT P10636 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
GAA P10253 1/20 0.31
CASP3 P42574 1/20 0.31
F10 P00742 2/20 0.31
PKM P14618 1/20 0.31
TSHR P16473 1/20 0.31

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 SCHEMBL7653679 0.88 ITGB3 (0.41) F2ITGB3ITGA2BALOX15F10
SCHEMBL7651072 0.85 ALDH1A1 (0.33) F2ALDH1A1F10
SCHEMBL7653182 0.85 ITGB3 (0.42) F2ITGB3ITGA2BALDH1A1MAPT
SCHEMBL7653188 0.85 ITGB3 (0.42) F2ITGB3ITGA2BALDH1A1MAPT
SCHEMBL7660317 0.84 ITGB3 (0.40) F2ITGB3ITGA2BALDH1A1MAPT
SCHEMBL7660308 0.84 ITGB3 (0.40) F2ITGB3ITGA2BALDH1A1MAPT
SCHEMBL7662938 0.83 ITGB3 (0.41) F2ITGB3ITGA2BALDH1A1MAPT
SCHEMBL7662931 0.83 ITGB3 (0.41) F2ITGB3ITGA2BALDH1A1MAPT
SCHEMBL7658921 0.80 ALDH1A1 (0.39) F2ITGB3ITGA2BALDH1A1MAPT
SCHEMBL7658927 0.80 ALDH1A1 (0.39) F2ITGB3ITGA2BALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6344456-B1 ANTICOAGULANTS LABORATOIRE L. LAFON (FR) 2002-02-05 US disclosed