SCHEMBL574039

SCHEMBL574039

CCCC(n1c2ccccc2c2ccccc21)n1c2ccccc2c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
PGR P06401 1/20 0.40
RORA P35398 1/20 0.40
RORC P51449 1/20 0.40
RORB Q92753 1/20 0.40
BACE1 P56817 2/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
SLC6A2 P23975 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL573291 0.88 PGR (0.45) GPR3CYP1A2CYP2C19PGRRORA
SCHEMBL572976 0.86 CNR2 (0.44) GPR3CYP1A2CYP2C19PGRRORA
SCHEMBL573850 0.85 CNR1 (0.43) GPR3PGRRORARORCRORB
SCHEMBL573153 0.83 CYP1A2 (0.50) GPR3CYP1A2CYP2C19PGRRORA
SCHEMBL13772400 0.82 CNR1 (0.43) GPR3CYP1A2CYP2C19PGRRORA
SCHEMBL4729183 0.80 GPR3 (0.40) GPR3CYP1A2CYP2C19PGRRORA
SCHEMBL25526924 0.80 GPR3 (0.40) GPR3CYP1A2CYP2C19PGRRORA
SCHEMBL21030063 0.79 GPR3 (0.39) GPR3CYP1A2CYP2C19PGRRORA
SCHEMBL23258865 0.77 PGR (0.42) GPR3CYP1A2CYP2C19PGRRORA
SCHEMBL18445707 0.77 GPR3 (0.38) GPR3CYP1A2CYP2C19PGRRORA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601556-A1 PHOTOREFRACTIVE COMPOSITION RESPONSIVE TO MULTIPLE LASER WAVELENGTHS ACROSS THE VISIBLE LIGHT SPECTRUM Nitto Denko Corporation (JP) 2013-06-12 EP disclosed
WO-2012018342-A1 PHOTOREFRACTIVE COMPOSITION RESPONSIVE TO MULTIPLE LASER WAVELENGTHS ACROSS THE VISIBLE LIGHT SPECTRUM NITTO DENKO CORPORATION (JP) 2012-02-09 WO disclosed