SCHEMBL20844239

SCHEMBL20844239

CCCCc1ccc2c(c1)c1ccccc1n2C(C)(CC)CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORA P35398 3/20 0.47
RORC P51449 3/20 0.47
RORB Q92753 3/20 0.47
CNR2 P34972 5/20 0.43
FDFT1 P37268 2/20 0.42
PGR P06401 3/20 0.41
KDM4E B2RXH2 3/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MCHR2 Q969V1 1/20 0.38
HTT P42858 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
SLC2A1 P11166 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 4/20 0.37
TP53 P04637 2/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL20844261 0.93 RORA (0.43) RORARORCRORBPGRMAPK1
SCHEMBL12083703 0.81 RORC (0.56) RORARORCRORBCNR2FDFT1
SCHEMBL13077280 0.80 GPR3 (0.44) RORARORCRORBPGRKDM4E
SCHEMBL28409215 0.80 RORA (0.51) RORARORCRORBCNR2FDFT1
SCHEMBL20844245 0.78 PGR (0.43) RORARORCRORBPGRKDM4E
SCHEMBL13616266 0.77 RORA (0.42) RORARORCRORBCNR2FDFT1
SCHEMBL24123964 0.76 RORA (0.48) RORARORCRORBCNR2FDFT1
SCHEMBL15356179 0.76 RORA (0.48) RORARORCRORBCNR2FDFT1
SCHEMBL20844256 0.75 TSPO (0.50) KDM4EMAPK1HTTMAPTMEN1
SCHEMBL10067556 0.75 RORA (0.47) RORARORCRORBCNR2FDFT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3622568-B1 ORGANIC ELECTROLUMINESCENT DEVICE EMITTING BLUE LIGHT CYNORA GMBH (DE) 2021-08-11 EP disclosed
EP-3622569-B1 ORGANIC ELECTROLUMINESCENT DEVICE EMITTING BLUE LIGHT CYNORA GMBH (DE) 2021-08-11 EP disclosed
EP-3401972-B1 BLUE LIGHT EMITTING ELECTROLUMINESCENT DEVICE CYNORA GMBH (DE) 2019-03-27 EP disclosed
EP-3401971-B1 ORGANIC ELECTROLUMINESCENT DEVICE EMITTING BLUE LIGHT CYNORA GMBH (DE) 2019-03-27 EP disclosed