SCHEMBL7662909

SCHEMBL7662909

CCOC(=O)CC(CCc1ccccc1)NC(=O)CN1CCN(c2ccc(C#N)cc2)CC1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 10/20 0.42
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MMEL1 Q495T6 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.37
PRSS1 P07477 1/20 0.36
CTSG P08311 1/20 0.36
CTRB1 P17538 1/20 0.36
CMA1 P23946 1/20 0.36

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
SCHEMBL7448038 0.89 ALDH1A1 (0.43) EP300ALDH1A1KMT2AMEN1MAPT
SCHEMBL7658927 0.87 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL7658921 0.87 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1MAPTHTT
Acetic Acid SCHEMBL7662510 0.85 F2 (0.47) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL7660271 0.84 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL7652851 0.83 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL7649303 0.79 KMT2A (0.44) EP300ALDH1A1KMT2AMEN1MAPT
SCHEMBL7653819 0.77 EP300 (0.41) EP300ALDH1A1KMT2AMEN1MAPT
SCHEMBL7684658 0.76 EP300 (0.43) EP300POLB
SCHEMBL7454754 0.76 ALDH1A1 (0.41) 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 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