SCHEMBL5058715

SCHEMBL5058715

O=C(O)c1cc2ccccc2cc1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.69
KDM4E B2RXH2 1/20 0.54
SRD5A2 P31213 2/20 0.53
CDC25B P30305 2/20 0.51
CDC25A P30304 1/20 0.51
HSD17B10 Q99714 1/20 0.51
FNTA P49354 1/20 0.51
FNTB P49356 1/20 0.51
SERPINE1 P05121 1/20 0.49
IDO1 P14902 1/20 0.49
AKR1C3 P42330 2/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
POLB P06746 2/20 0.47
CNR2 P34972 1/20 0.47
ATM Q13315 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL7821719 0.87 KDM4E (0.63) NR4A1KDM4ESRD5A2CDC25BCDC25A
SCHEMBL4294255 0.87 NR4A1 (0.69) NR4A1KDM4ESRD5A2CDC25BCDC25A
SCHEMBL1821471 0.84 NR4A1 (0.65) NR4A1KDM4ESRD5A2CDC25BCDC25A
SCHEMBL11682928 0.83 NR4A1 (0.54) NR4A1KDM4EPOLBCNR2ALDH1A1
SCHEMBL10658248 0.83 KDM4E (0.54) NR4A1KDM4ECDC25BCDC25AHSD17B10
SCHEMBL12877799 0.83 AKR1C3 (0.69) NR4A1KDM4ECDC25BCDC25AHSD17B10
SCHEMBL30884880 0.82 NR4A1 (1.00) NR4A1KDM4ESRD5A2CDC25BCDC25A
SCHEMBL1247787 0.82 NR4A1 (1.00) NR4A1KDM4ESRD5A2CDC25BCDC25A
SCHEMBL9723720 0.81 IDO1 (0.63) NR4A1KDM4ECDC25BCDC25AHSD17B10
SCHEMBL25181022 0.81 NR4A1 (0.61) NR4A1KDM4ESRD5A2CDC25BCDC25A

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 7 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 disclosed
US-7315042-B2 Semiconductors containing trans-1,2-bis(acenyl)ethylene compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-01-01 US disclosed
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