SCHEMBL7320627

SCHEMBL7320627

CC(OC1(c2sccc2-c2ccccc2)c2ccccc2-c2ccccc21)[C@H](N)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.37
SLC1A3 P43003 3/20 0.33
SLC1A2 P43004 3/20 0.33
SLC1A1 P43005 3/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
PRKCZ Q05513 1/20 0.33
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KIF11 P52732 2/20 0.32
PDK2 Q15119 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 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
SCHEMBL7320630 1.00 BCAT2 (0.37) BCAT2SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL7311644 0.93 KIF11 (0.38) BCAT2SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL7311653 0.93 KIF11 (0.38) BCAT2SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL7322395 0.92 HDAC4 (0.37) BCAT2KMT2AMEN1CYP2C19ALDH1A1
SCHEMBL7322385 0.92 HDAC4 (0.37) BCAT2KMT2AMEN1CYP2C19ALDH1A1
SCHEMBL7317072 0.90 KIF11 (0.38) BCAT2SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL7317067 0.90 KIF11 (0.38) BCAT2SLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL7323367 0.87 KIF11 (0.34) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL7323361 0.87 KIF11 (0.34) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL7312191 0.85 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1KMT2AMEN1

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-6162824-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS ALLELIX NEUROSCIENCE INC. 2000-12-19 US disclosed