SCHEMBL1043365

SCHEMBL1043365

CC(C)(C)c1ccccc1-c1ccc(-c2ccccc2)c(-c2conn2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.40
SCN9A Q15858 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ENPP3 O14638 2/20 0.32
ENPP1 P22413 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
PTPN5 P54829 1/20 0.30
P2RY1 P47900 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30

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
SCHEMBL348600 0.90 TRPA1 (0.35) TRPA1SCN9AMEN1KMT2AENPP3
SCHEMBL28715813 0.86 MEN1 (0.37) TRPA1SCN9AMEN1KMT2AENPP3
SCHEMBL7491303 0.80 MEN1 (0.36) MEN1KMT2AADORA3ADORA2AADORA1
SCHEMBL6853266 0.79 PTPN5 (0.32) SCN9AMEN1KMT2AENPP3ENPP1
SCHEMBL1973132 0.79 NPC1 (0.41) MEN1KMT2A
SCHEMBL3181328 0.77 SMARCA2 (0.37) MEN1KMT2AENPP3ENPP1ADORA3
SCHEMBL6135309 0.77 GPR55 (0.39) ENPP3ENPP1
SCHEMBL2200428 0.75 GPR55 (0.38) ENPP3ENPP1
SCHEMBL11574702 0.73 NPC1 (0.41) MEN1KMT2AENPP3ADORA2AADORA1
SCHEMBL6723504 0.73 MEN1 (0.33) MEN1KMT2AADORA3ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214868-B1 ORGANIC ELECTROLUMINESCENT DEVICE AND PRODUCTION METHOD THEREOF OSRAM OPTO SEMICONDUCTORS GMBH (DE) 2011-01-12 EP disclosed
EP-1214868-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND PRODUCTION METHOD Osram Opto Semiconductors GmbH & Co. OHG (DE) 2002-06-19 EP disclosed
WO-2001017319-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND PRODUCTION METHOD OSRAM OPTO SEMICONDUCTORS GMBH & CO. OHG (DE) 2001-03-08 WO disclosed