SCHEMBL461490

SCHEMBL461490

CCCCCCOc1cc(C)nc2c1ccc1c(OCCCCCC)cc(C)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.46
TLR8 Q9NR97 2/20 0.46
ESR1 P03372 2/20 0.43
KDM4E B2RXH2 2/20 0.43
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
NR1I2 O75469 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADRA2A P08913 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR2B P41595 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
SCHEMBL15024889 0.95 BCHE (0.45) MCHR1TLR8ESR1KDM4EBCHE
SCHEMBL15024711 0.89 MCHR1 (0.39) MCHR1TLR8ESR1KDM4EMAPT
SCHEMBL15028054 0.88 BCHE (0.40) MCHR1TLR8ESR1KDM4EBCHE
SCHEMBL15886703 0.82 NCF1 (0.50) KDM4EMAPTLMNASMN1; SMN2
SCHEMBL18189214 0.81 KDM4E (0.43) KDM4EMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL27702897 0.79 KMT2A (0.50) MCHR1ESR1KDM4EMEN1OPRK1
SCHEMBL8676178 0.79 CCR1 (0.42) MCHR1KDM4EMAPTLMNAALDH1A1
SCHEMBL463568 0.78 KDM4E (0.40) KDM4EMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL15024887 0.78 NCF1 (0.41) KDM4EMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL18189075 0.78 NCF1 (0.41) KDM4EMAPTLMNAALDH1A1SMN1; SMN2

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 8 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
CN-103833776-A Cuprous dinuclear complex in blending of diimine ligand and alkyne biphosphine ligand and preparation method and application of cuprous dinuclear complex UNIV TIANJIN NORMAL 2014-06-04 CN 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