SCHEMBL7320880

SCHEMBL7320880

Cc1cccc2c1-c1ccccc1C2(OC(C)[C@H](N)C(=O)O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 6/20 0.39
MYC P01106 1/20 0.37
KIF11 P52732 3/20 0.36
CYP1A2 P05177 3/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP3A4 P08684 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ATM Q13315 1/20 0.34
SLC1A3 P43003 3/20 0.33
SLC1A2 P43004 3/20 0.33
SLC1A1 P43005 3/20 0.33
HTR7 P34969 1/20 0.32
HTR2B P41595 1/20 0.32
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR4 P22455 1/20 0.32
FGFR3 P22607 1/20 0.32

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
SCHEMBL7320886 1.00 PDK2 (0.39) PDK2MYCKIF11CYP1A2CYP2C9
SCHEMBL7323867 0.89 KIF11 (0.44) PDK2KIF11CYP1A2CYP2C9CYP2C19
SCHEMBL7317362 0.89 KIF11 (0.44) PDK2KIF11CYP1A2CYP2C9CYP2C19
SCHEMBL7317367 0.89 KIF11 (0.44) PDK2KIF11CYP1A2CYP2C9CYP2C19
SCHEMBL7315297 0.88 KIF11 (0.40) PDK2MYCKIF11CYP1A2CYP2C9
SCHEMBL7315293 0.88 KIF11 (0.40) PDK2MYCKIF11CYP1A2CYP2C9
SCHEMBL7325812 0.84 KIF11 (0.38) PDK2MYCKIF11CYP1A2CYP2C9
SCHEMBL7325808 0.84 KIF11 (0.38) PDK2MYCKIF11CYP1A2CYP2C9
SCHEMBL7312848 0.82 KIF11 (0.41) PDK2KIF11CYP1A2CYP2C9CYP2C19
SCHEMBL7320455 0.82 KIF11 (0.41) PDK2KIF11CYP1A2CYP2C9CYP2C19

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