SCHEMBL8633998

SCHEMBL8633998

CC(C)(C)OC(=O)N[C@H]1Cc2ccccc2[C@H]1Oc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.44
MAOB P27338 1/20 0.42
EPHX2 P34913 1/20 0.42
SLC9A3 P48764 4/20 0.41
BTK Q06187 3/20 0.41
NPY5R Q15761 2/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
MMP13 P45452 2/20 0.39
CYP2D6 P10635 1/20 0.37
MMP2 P08253 1/20 0.37
MMP7 P09237 1/20 0.37
MMP9 P14780 1/20 0.37
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DRD2 P14416 1/20 0.36
ATM Q13315 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 0.95 KDM1A (0.46) KDM1AMAOBEPHX2SLC9A3SLC6A2
SCHEMBL8635984 0.95 KDM1A (0.46) KDM1AMAOBEPHX2SLC9A3SLC6A2
SCHEMBL7375062 0.95 KDM1A (0.46) KDM1AMAOBEPHX2SLC9A3SLC6A2
SCHEMBL8635603 0.91 KDM1A (0.44) KDM1AMAOBEPHX2SLC9A3SLC6A2
SCHEMBL8637606 0.89 SLC6A2 (0.44) KDM1AMAOBEPHX2SLC9A3SLC6A2
SCHEMBL8635442 0.88 KMT2A (0.43) KDM1AMAOBEPHX2SLC9A3SLC6A2
SCHEMBL8635445 0.88 KMT2A (0.43) KDM1AMAOBEPHX2SLC9A3SLC6A2
SCHEMBL8635440 0.88 KMT2A (0.43) KDM1AMAOBEPHX2SLC9A3SLC6A2
SCHEMBL7371529 0.86 NPC1 (0.42) KDM1AMAOBEPHX2SMN1; SMN2KMT2A
SCHEMBL7369920 0.86 NPC1 (0.42) KDM1AMAOBEPHX2SMN1; SMN2KMT2A

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