SCHEMBL8637606

SCHEMBL8637606

CC(C)(C)OC(=O)N[C@H]1Cc2ccccc2[C@H]1Oc1ccc(C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
KDM1A O60341 2/20 0.44
EPHX2 P34913 1/20 0.42
SLC9A3 P48764 5/20 0.41
MAOB P27338 2/20 0.40
TAOK1 Q7L7X3 1/20 0.40
TAOK3 Q9H2K8 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
LMNA P02545 1/20 0.39
DRD2 P14416 2/20 0.36
ATM Q13315 1/20 0.36
MAPK14 Q16539 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL7375058 0.91 KDM1A (0.46) SLC6A2SLC6A4KDM1AEPHX2SLC9A3
SCHEMBL7375062 0.91 KDM1A (0.46) SLC6A2SLC6A4KDM1AEPHX2SLC9A3
SCHEMBL8635984 0.91 KDM1A (0.46) SLC6A2SLC6A4KDM1AEPHX2SLC9A3
SCHEMBL8635603 0.89 KDM1A (0.44) SLC6A2SLC6A4KDM1AEPHX2SLC9A3
SCHEMBL8633998 0.89 KDM1A (0.44) SLC6A2SLC6A4KDM1AEPHX2SLC9A3
SCHEMBL8635440 0.86 KMT2A (0.43) SLC6A2SLC6A4KDM1AEPHX2SLC9A3
SCHEMBL8635445 0.86 KMT2A (0.43) SLC6A2SLC6A4KDM1AEPHX2SLC9A3
SCHEMBL8635442 0.86 KMT2A (0.43) SLC6A2SLC6A4KDM1AEPHX2SLC9A3
SCHEMBL7371529 0.84 NPC1 (0.42) KDM1AEPHX2MAOBTAOK1TAOK3
SCHEMBL8635972 0.84 NPC1 (0.42) KDM1AEPHX2MAOBTAOK1TAOK3

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-5773463-A DECALCIFICATION OF BRAIN DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 1998-06-30 US disclosed