SCHEMBL7316697

SCHEMBL7316697

Cc1ccc2c(c1)C(O[C@H](C)[C@H](N)C(=O)O)(c1cccs1)c1ccccc1-2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.36
SLC1A3 P43003 5/20 0.36
SLC1A2 P43004 5/20 0.36
SLC1A1 P43005 5/20 0.36
PDK2 Q15119 4/20 0.35
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC6A3 Q01959 1/20 0.30
TP53 P04637 2/20 0.30
HTT P42858 1/20 0.30
ELANE P08246 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL7316689 1.00 KIF11 (0.36) KIF11SLC1A3SLC1A2SLC1A1PDK2
SCHEMBL7325924 0.91 SLC1A3 (0.41) KIF11SLC1A3SLC1A2SLC1A1PDK2
SCHEMBL7325928 0.91 SLC1A3 (0.41) KIF11SLC1A3SLC1A2SLC1A1PDK2
SCHEMBL7313467 0.89 PDK2 (0.36) SLC1A3SLC1A2SLC1A1PDK2MEN1
SCHEMBL7313476 0.89 PDK2 (0.36) SLC1A3SLC1A2SLC1A1PDK2MEN1
SCHEMBL7312498 0.88 PDK2 (0.39) KIF11SLC1A3SLC1A2SLC1A1PDK2
SCHEMBL7315663 0.88 PDK2 (0.39) KIF11SLC1A3SLC1A2SLC1A1PDK2
SCHEMBL7312511 0.88 PDK2 (0.39) KIF11SLC1A3SLC1A2SLC1A1PDK2
SCHEMBL7315669 0.88 PDK2 (0.39) KIF11SLC1A3SLC1A2SLC1A1PDK2
SCHEMBL7322658 0.87 PDK2 (0.34) 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