SCHEMBL7315663

SCHEMBL7315663

CCc1ccc2c(c1)C(OC(C)[C@H](N)C(=O)O)(c1cccs1)c1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 6/20 0.39
SLC1A2 P43004 6/20 0.37
SLC1A1 P43005 6/20 0.37
SLC1A3 P43003 5/20 0.37
HTT P42858 3/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 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
SCHEMBL7315669 1.00 PDK2 (0.39) PDK2SLC1A2SLC1A1SLC1A3HTT
SCHEMBL7325928 0.89 SLC1A3 (0.41) PDK2SLC1A2SLC1A1SLC1A3HTT
SCHEMBL7325924 0.89 SLC1A3 (0.41) PDK2SLC1A2SLC1A1SLC1A3HTT
SCHEMBL7316689 0.88 KIF11 (0.36) PDK2SLC1A2SLC1A1SLC1A3HTT
SCHEMBL7316697 0.88 KIF11 (0.36) PDK2SLC1A2SLC1A1SLC1A3HTT
SCHEMBL7313467 0.87 PDK2 (0.36) PDK2SLC1A2SLC1A1SLC1A3POLB
SCHEMBL7313476 0.87 PDK2 (0.36) PDK2SLC1A2SLC1A1SLC1A3POLB
SCHEMBL7319571 0.86 PDK2 (0.43) PDK2SLC1A2SLC1A1SLC1A3LMNA
SCHEMBL7319567 0.86 PDK2 (0.43) PDK2SLC1A2SLC1A1SLC1A3LMNA
SCHEMBL7312498 0.86 PDK2 (0.39) PDK2SLC1A2SLC1A1SLC1A3MAPT

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