SCHEMBL7313751

SCHEMBL7313751

C[C@@H](OC1(c2cccc3ccccc23)c2ccccc2-c2ccc(-c3ccccc3)cc21)[C@H](N)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
PPARG P37231 5/20 0.40
PPARA Q07869 5/20 0.40
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
PDK2 Q15119 6/20 0.36
SLC6A9 P48067 1/20 0.36
NTSR1 P30989 2/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL7313746 1.00 KIF11 (0.42) KIF11PPARGPPARASLC1A3SLC1A2
SCHEMBL7323718 0.86 PDK2 (0.40) KIF11SLC1A3SLC1A2SLC1A1PDK2
SCHEMBL7323711 0.86 PDK2 (0.40) KIF11SLC1A3SLC1A2SLC1A1PDK2
SCHEMBL7313476 0.82 PDK2 (0.36) SLC1A3SLC1A2SLC1A1PDK2SLC6A9
SCHEMBL7313467 0.82 PDK2 (0.36) SLC1A3SLC1A2SLC1A1PDK2SLC6A9
SCHEMBL7325808 0.75 KIF11 (0.38) KIF11PPARGPPARASLC1A3SLC1A2
SCHEMBL7325812 0.75 KIF11 (0.38) KIF11PPARGPPARASLC1A3SLC1A2
SCHEMBL7315698 0.75 SLC1A3 (0.43) KIF11PPARGPPARASLC1A3SLC1A2
SCHEMBL7315704 0.75 SLC1A3 (0.43) KIF11PPARGPPARASLC1A3SLC1A2
SCHEMBL7317367 0.75 KIF11 (0.44) KIF11SLC1A3SLC1A2SLC1A1PDK2

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