SCHEMBL8088258

SCHEMBL8088258

CCN(C=CC=Cc1ccccc1)CC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.56
NPC1 O15118 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TRPA1 O75762 2/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX5 P09917 1/20 0.43
RELA Q04206 2/20 0.40
CYP3A4 P08684 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39

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
SCHEMBL11171879 0.85 NPC1 (0.48) MAOBNPC1L3MBTL1TRPA1RELA
SCHEMBL136178 0.85 NPC1 (0.48) MAOBNPC1L3MBTL1TRPA1RELA
SCHEMBL11128935 0.77 MAOB (0.52) MAOBNPC1TRPA1MAPK1LMNA
SCHEMBL27964093 0.77 MAOB (0.64) MAOBNPC1TRPA1MAPK1LMNA
SCHEMBL23458007 0.75 MAOB (1.00) MAOBNPC1TRPA1MAPK1LMNA
SCHEMBL592744 0.75 MAOB (1.00) MAOBNPC1TRPA1MAPK1LMNA
SCHEMBL5875512 0.75 MAOB (1.00) MAOBNPC1TRPA1MAPK1LMNA
SCHEMBL6853572 0.75 MAOB (1.00) MAOBNPC1TRPA1MAPK1LMNA
Benzene SCHEMBL9803304 0.75 MAOB (1.00) MAOBNPC1TRPA1MAPK1LMNA
Benzene SCHEMBL135524 0.75 MAOB (1.00) MAOBNPC1TRPA1MAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1045868-A1 HOMOPOLYMERS AND COPOLYMERS OF ETHYLENE BP Chemicals Limited (GB) 2000-10-25 EP disclosed
WO-1999035174-A1 HOMOPOLYMERS AND COPOLYMERS OF ETHYLENE BP CHEMICALS LIMITED (GB) 1999-07-15 WO disclosed