SCHEMBL1074071

SCHEMBL1074071

O=C(CNC12CC3CC(CC(C3)C1)C2)c1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.52
POLB P06746 4/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
DPP4 P27487 4/20 0.44
CNR2 P34972 1/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GSK3B P49841 2/20 0.43
FAAH O00519 1/20 0.42
EPHX2 P34913 2/20 0.42
ACHE P22303 1/20 0.41

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
SCHEMBL3362801 0.72 HDAC6 (0.63) HDAC6POLBALDH1A1MAPTCNR2
SCHEMBL15029035 0.71 ALDH1A1 (0.56) POLBALDH1A1DPP4RAB9AKDM4E
SCHEMBL1937667 0.70 FAAH (0.56) HDAC6ALDH1A1MAPTCNR2RAB9A
SCHEMBL158816 0.69 DPP4 (0.58) ALDH1A1DPP4EPHX2
SCHEMBL12098895 0.69 GSK3B (0.59) HDAC6POLBALDH1A1MAPTRAB9A
SCHEMBL21712145 0.69 HDAC6 (1.00) HDAC6CNR2
SCHEMBL1305020 0.68 GSK3B (0.70) HDAC6POLBMAPTRAB9AKDM4E
SCHEMBL1421158 0.68 HDAC6 (0.74) HDAC6ALDH1A1MAPTCNR2KDM4E
SCHEMBL2708888 0.68 GSK3B (0.57) HDAC6POLBALDH1A1MAPTRAB9A
SCHEMBL12735376 0.68 DPP4 (0.56) DPP4SMN1; SMN2EPHX2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116912897-A display device 三星显示有限公司 2023-10-20 CN disclosed
US-20230337509-A1 DISPLAY DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-10-19 US disclosed
WO-2011001258-A1 COMPOSITIONS, METHODS, AND KITS FOR TREATING VIRAL AND BACTERIAL INFECTIONS BY TOCOTRIENOLS, TOCOMONOENOLS, TOCODIENOLS, TOCOPHEROLS, AND THEIR DERIVATES EVITA LIFE SCIENCE PTE. LTD (SG) 2011-01-06 WO disclosed
WO-2006119295-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES COMBINATORX, INCORPORATED (US) 2006-11-09 WO disclosed