SCHEMBL7322362

SCHEMBL7322362

COc1ccc(C2(O[C@H](C)[C@H](N)C(=O)O)c3ccccc3-c3ccccc32)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.44
LMNA P02545 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KIF11 P52732 5/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
LDHA P00338 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
TNF P01375 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL7322359 1.00 ACHE (0.44) ACHELMNAKMT2AMEN1L3MBTL1
SCHEMBL7316108 0.85 KIF11 (0.45) KMT2AKIF11
SCHEMBL7316115 0.85 KIF11 (0.45) KMT2AKIF11
SCHEMBL7325936 0.84 KMT2A (0.41) ACHEKMT2AMEN1ALDH1A1KIF11
SCHEMBL7325931 0.84 KMT2A (0.41) ACHEKMT2AMEN1ALDH1A1KIF11
SCHEMBL7323867 0.84 KIF11 (0.44) KMT2AMEN1ALDH1A1KIF11CYP1A2
SCHEMBL7317367 0.84 KIF11 (0.44) KMT2AMEN1ALDH1A1KIF11CYP1A2
SCHEMBL7317362 0.84 KIF11 (0.44) KMT2AMEN1ALDH1A1KIF11CYP1A2
SCHEMBL7323759 0.84 KIF11 (0.37) L3MBTL1KIF11AKR1C3AKR1C2
SCHEMBL7323752 0.84 KIF11 (0.37) L3MBTL1KIF11AKR1C3AKR1C2

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