SCHEMBL5222991

SCHEMBL5222991

CC(C)(C)N(C(=O)O)[C@@H](Cc1ccccc1)[C@H](O)CNC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.38
FAAH O00519 2/20 0.38
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
EPHX1 P07099 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL5225796 0.90 DPP8 (0.34) EPHX2MAPK1ALDH1A1MEN1KMT2A
SCHEMBL5225805 0.90 DPP8 (0.34) EPHX2MAPK1ALDH1A1MEN1KMT2A
SCHEMBL5225802 0.90 DPP8 (0.34) EPHX2MAPK1ALDH1A1MEN1KMT2A
SCHEMBL5218656 0.87 OPRM1 (0.34)
SCHEMBL5218666 0.87 OPRM1 (0.34)
SCHEMBL5223162 0.81 EPHX2 (0.40) EPHX2
SCHEMBL5221296 0.81 OPRM1 (0.35) MEN1KMT2ANPC1RAB9A
SCHEMBL5225992 0.81 OPRM1 (0.35)
SCHEMBL5222763 0.81 MME (0.36) KMT2A
SCHEMBL5225985 0.81 OPRM1 (0.35)

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
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed