SCHEMBL5052189

SCHEMBL5052189

C(=C/c1ccc2cc3ccccc3cc2c1)\c1ccc2cc3ccccc3cc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.74
PTGS1 P23219 1/20 0.63
ALDH1A1 P00352 3/20 0.59
NQO2 P16083 2/20 0.59
GLA P06280 1/20 0.59
MAPT P10636 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PLG P00747 1/20 0.48
PLAU P00749 1/20 0.48
PLAT P00750 1/20 0.48
KLK1 P06870 1/20 0.48
CYP3A4 P08684 2/20 0.48
ALOX15 P16050 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
HBB P68871 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL5057126 1.00 RELA (0.74) RELAPTGS1ALDH1A1NQO2GLA
SCHEMBL5057120 1.00 RELA (0.74) RELAPTGS1ALDH1A1NQO2GLA
SCHEMBL5052193 1.00 RELA (0.74) RELAPTGS1ALDH1A1NQO2GLA
SCHEMBL5548827 0.97 RELA (0.78) RELAPTGS1ALDH1A1NQO2GLA
SCHEMBL5548830 0.97 RELA (0.78) RELAPTGS1ALDH1A1NQO2GLA
SCHEMBL5406013 0.93 RELA (0.87) RELAPTGS1ALDH1A1NQO2GLA
SCHEMBL5406009 0.93 RELA (0.87) RELAPTGS1ALDH1A1NQO2GLA
SCHEMBL5406016 0.93 RELA (0.87) RELAPTGS1ALDH1A1NQO2GLA
SCHEMBL5552162 0.92 RELA (0.86) RELAPTGS1ALDH1A1NQO2GLA
SCHEMBL5552166 0.92 RELA (0.86) RELAPTGS1ALDH1A1NQO2GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7315042-B2 Semiconductors containing trans-1,2-bis(acenyl)ethylene compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-01-01 US claimed
WO-2006055085-A1 SEMICONDUCTORS CONTAINING TRANS-1,2-BIS(ACENYL)ETHYLENE COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-05-26 WO claimed
WO-2006055154-A1 ELECTROLUMINESCENT DEVICES CONTAINING TRANS-1,2-BIS(ACENYL)ETHYLENE COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-05-26 WO claimed
US-20060102893-A1 Semiconductors containing trans-1,2-bis(acenyl)ethylene compoounds 3M INNOVATIVE PROPERTIES COMPANY 2006-05-18 US claimed
US-20060105199-A1 Electroluminescent devices containing trans-1,2-bis(acenyl)ethylene compounds 3M INNOVATIVE PROPERTIES COMPANY 2006-05-18 US claimed
US-7315042-B2 Semiconductors containing trans-1,2-bis(acenyl)ethylene compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-01-01 US disclosed
WO-2006055085-A1 SEMICONDUCTORS CONTAINING TRANS-1,2-BIS(ACENYL)ETHYLENE COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-05-26 WO disclosed
WO-2006055154-A1 ELECTROLUMINESCENT DEVICES CONTAINING TRANS-1,2-BIS(ACENYL)ETHYLENE COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-05-26 WO disclosed
US-20060102893-A1 Semiconductors containing trans-1,2-bis(acenyl)ethylene compoounds 3M INNOVATIVE PROPERTIES COMPANY 2006-05-18 US disclosed
US-20060105199-A1 Electroluminescent devices containing trans-1,2-bis(acenyl)ethylene compounds 3M INNOVATIVE PROPERTIES COMPANY 2006-05-18 US disclosed