SCHEMBL7651072

SCHEMBL7651072

CCOC(=O)CC(NC(=O)CN1CCN(c2ccc(C(N)/C=N\O)cc2)CC1=O)C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.31
F2 P00734 3/20 0.30
F10 P00742 2/20 0.30

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
SCHEMBL7651080 0.85 F2 (0.43) ALDH1A1F2F10
Acetic Acid SCHEMBL7653679 0.82 ITGB3 (0.41) F2F10
SCHEMBL7653188 0.70 ITGB3 (0.42) ALDH1A1MEN1KMT2APOLBF2
SCHEMBL7653182 0.70 ITGB3 (0.42) ALDH1A1MEN1KMT2APOLBF2
SCHEMBL7660317 0.69 ITGB3 (0.40) ALDH1A1MEN1KMT2AF2
SCHEMBL7660308 0.69 ITGB3 (0.40) ALDH1A1MEN1KMT2AF2
SCHEMBL7662931 0.69 ITGB3 (0.41) ALDH1A1MEN1KMT2AF2
SCHEMBL7662938 0.69 ITGB3 (0.41) ALDH1A1MEN1KMT2AF2
SCHEMBL7660272 0.67 ITGB3 (0.40) ALDH1A1KMT2A
SCHEMBL7660276 0.67 ITGB3 (0.40) ALDH1A1KMT2A

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