SCHEMBL463568

SCHEMBL463568

CCCCC(CC)COc1cc(C)nc2c1ccc1c(OCC(CC)CCCC)cc(C)nc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 6/20 0.38
CYP3A4 P08684 5/20 0.38
CA2 P00918 1/20 0.38
MAPK1 P28482 3/20 0.38
TSHR P16473 3/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 3/20 0.35
NR4A2 P43354 1/20 0.35
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
ATM Q13315 1/20 0.33
IDO1 P14902 1/20 0.32

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
SCHEMBL15024889 0.79 BCHE (0.45) KDM4EALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL461490 0.78 MCHR1 (0.46) KDM4EALDH1A1CYP3A4TSHRMAPT
SCHEMBL13475567 0.78 CYP3A4 (0.44) ALDH1A1CYP3A4CA2MAPK1TSHR
SCHEMBL23271846 0.75 ALDH1A1 (0.42) KDM4EALDH1A1CYP3A4CA2MAPK1
SCHEMBL30003128 0.75 ALDH1A1 (0.42) KDM4EALDH1A1CYP3A4CA2MAPK1
SCHEMBL20005307 0.74 CYP3A4 (0.41) ALDH1A1CYP3A4CA2MAPK1TSHR
SCHEMBL17403681 0.74 ALDH1A1 (0.50) KDM4EALDH1A1CYP3A4CA2MAPK1
SCHEMBL22773420 0.73 ALDH1A1 (0.43) KDM4EALDH1A1CYP3A4CA2MAPK1
SCHEMBL15028054 0.73 BCHE (0.40) KDM4EALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL19612185 0.73 ALDH1A1 (0.43) ALDH1A1CYP3A4CA2MAPK1TSHR

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
EP-2595997-B1 COPPER(I) COMPLEXES FOR OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2015-09-16 EP disclosed
US-9024026-B2 Copper (I) complexes for optoelectronic devices CYNORA GMBH (DE) 2015-05-05 US disclosed
US-9024026-B2 Copper (I) complexes for optoelectronic devices CYNORA GMBH (DE) 2015-05-05 US disclosed
US-20130150581-A1 COPPER (I) COMPLEXES FOR OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2013-06-13 US disclosed
US-20130150581-A1 COPPER (I) COMPLEXES FOR OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2013-06-13 US disclosed
EP-2595997-A1 COPPER (I) COMPLEXES FOR OPTOELECTRONIC DEVICES Cynora GmbH (DE) 2013-05-29 EP disclosed
WO-2012010650-A1 COPPER (I) COMPLEXES FOR OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2012-01-26 WO disclosed