SCHEMBL8635440

SCHEMBL8635440

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PPARA Q07869 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
PPARG P37231 1/20 0.42
KDM1A O60341 2/20 0.42
MAOB P27338 1/20 0.40
EPHX2 P34913 1/20 0.40
SLC9A3 P48764 2/20 0.39
LIPE Q05469 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
DRD2 P14416 2/20 0.37
ATM Q13315 1/20 0.37
NAMPT P43490 1/20 0.36
AKT1 P31749 2/20 0.36
ELANE P08246 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
SCHEMBL8635442 1.00 KMT2A (0.43) KMT2AL3MBTL1PPARASLC6A2SLC6A4
SCHEMBL8635445 1.00 KMT2A (0.43) KMT2AL3MBTL1PPARASLC6A2SLC6A4
SCHEMBL8635984 0.90 KDM1A (0.46) KMT2AL3MBTL1SLC6A2SLC6A4KDM1A
SCHEMBL7375058 0.90 KDM1A (0.46) KMT2AL3MBTL1SLC6A2SLC6A4KDM1A
SCHEMBL7375062 0.90 KDM1A (0.46) KMT2AL3MBTL1SLC6A2SLC6A4KDM1A
SCHEMBL8635972 0.90 NPC1 (0.42) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL7371529 0.90 NPC1 (0.42) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL7369920 0.90 NPC1 (0.42) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL8635603 0.88 KDM1A (0.44) KMT2AL3MBTL1SLC6A2SLC6A4KDM1A
SCHEMBL8633998 0.88 KDM1A (0.44) KMT2AL3MBTL1SLC6A2SLC6A4KDM1A

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