SCHEMBL7653188

SCHEMBL7653188

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.42
ITGA2B P08514 6/20 0.42
F2 P00734 1/20 0.34
ALDH1A1 P00352 4/20 0.32
TSHR P16473 2/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
SLC6A4 P31645 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
HTT P42858 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
SCHEMBL7653182 1.00 ITGB3 (0.42) ITGB3ITGA2BF2ALDH1A1TSHR
SCHEMBL7660317 0.89 ITGB3 (0.40) ITGB3ITGA2BF2ALDH1A1TSHR
SCHEMBL7660308 0.89 ITGB3 (0.40) ITGB3ITGA2BF2ALDH1A1TSHR
SCHEMBL7662938 0.88 ITGB3 (0.41) ITGB3ITGA2BF2ALDH1A1TSHR
SCHEMBL7662931 0.88 ITGB3 (0.41) ITGB3ITGA2BF2ALDH1A1TSHR
Acetic Acid SCHEMBL7656602 0.87 ITGB3 (0.40) ITGB3ITGA2BF2
SCHEMBL7651080 0.85 F2 (0.43) ITGB3ITGA2BF2ALDH1A1TSHR
SCHEMBL7658921 0.83 ALDH1A1 (0.39) ITGB3ITGA2BF2ALDH1A1TSHR
SCHEMBL7658927 0.83 ALDH1A1 (0.39) ITGB3ITGA2BF2ALDH1A1TSHR
SCHEMBL7651103 0.83 ITGB3 (0.36) ITGB3ITGA2BF2ALDH1A1SMN1; SMN2

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