SCHEMBL8584136

SCHEMBL8584136

O=C(Cc1ccc(CC(=O)c2ccc(Br)cc2)cc1)c1ccc(Br)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.61
HDAC1 Q13547 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
NPC1 O15118 4/20 0.55
RAB9A P51151 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
ALOX12 P18054 1/20 0.53
CES2 O00748 1/20 0.52

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
SCHEMBL29985867 1.00 GSK3B (0.61) GSK3BHDAC1HDAC8HDAC3HDAC4
SCHEMBL7854876 0.92 NPC1 (0.68) GSK3BHDAC1HDAC8HDAC3HDAC4
SCHEMBL8044783 0.92 NPC1 (0.68) GSK3BHDAC1HDAC8HDAC3HDAC4
SCHEMBL6201625 0.90 RAB9A (0.71) GSK3BNPC1RAB9AL3MBTL1MAPT
SCHEMBL6203410 0.90 PTPN1 (0.55) GSK3BHDAC1HDAC8HDAC3HDAC4
SCHEMBL5318356 0.90 RAB9A (0.71) GSK3BNPC1RAB9AL3MBTL1MAPT
SCHEMBL6199282 0.90 PTPN1 (0.55) GSK3BHDAC1HDAC8HDAC3HDAC4
SCHEMBL4464874 0.90 NPC1 (0.69) GSK3BHDAC1HDAC8HDAC3HDAC4
SCHEMBL13959588 0.90 ALDH1A1 (0.52) GSK3BHDAC1HDAC8HDAC3HDAC4
SCHEMBL29756305 0.90 NPC1 (0.69) GSK3BHDAC1HDAC8HDAC3HDAC4

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-5753757-A Electroluminescent polymer compositions and processes thereof XEROX CORPORATION (US) 1998-05-19 US disclosed