SCHEMBL7658927

SCHEMBL7658927

CCOC(=O)CC(CCc1ccccc1)NC(=O)CN1CCN(c2ccc(C(N)=NO)cc2)CC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
F10 P00742 6/20 0.38
F2 P00734 6/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MMEL1 Q495T6 1/20 0.37
ITGB3 P05106 3/20 0.37
ITGA2B P08514 3/20 0.37
CTSG P08311 1/20 0.36
CTRB1 P17538 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
PRSS1 P07477 1/20 0.35

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
SCHEMBL7658921 1.00 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL7454754 0.90 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1MAPTHTT
Acetic Acid SCHEMBL7662510 0.89 F2 (0.47) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL7662909 0.87 EP300 (0.42) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL7662931 0.87 ITGB3 (0.41) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL7662938 0.87 ITGB3 (0.41) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL7660271 0.85 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL7652851 0.84 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL7653182 0.83 ITGB3 (0.42) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL7653188 0.83 ITGB3 (0.42) ALDH1A1KMT2AMEN1MAPTHTT

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

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