SCHEMBL21165801

SCHEMBL21165801

CCOc1ccc(C=Cc2ccccc2)c(F)c1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.53
EGFR P00533 2/20 0.48
NFE2L2 Q16236 4/20 0.45
TRPA1 O75762 1/20 0.45
CYP1A2 P05177 3/20 0.43
CYP1A1 P04798 2/20 0.43
CYP1B1 Q16678 2/20 0.43
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
NTSR1 P30989 1/20 0.40
CCR6 P51684 1/20 0.40
MCL1 Q07820 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL28320971 0.87 NFE2L2 (0.43) RELAEGFRNFE2L2TRPA1CYP1A2
Propene SCHEMBL28139917 0.82 NFE2L2 (0.39) RELAEGFRNFE2L2TRPA1CYP1A2
SCHEMBL24644454 0.81 RELA (0.53) RELAEGFRNFE2L2TRPA1CYP1A2
SCHEMBL2930836 0.80 NFE2L2 (0.65) RELAEGFRNFE2L2TRPA1CYP1A2
SCHEMBL2930839 0.80 NFE2L2 (0.65) RELAEGFRNFE2L2TRPA1CYP1A2
SCHEMBL10301672 0.78 TUBB1 (0.37) RELAEGFRNFE2L2ALDH1A1MAPT
SCHEMBL14766534 0.78 RELA (0.47) RELANFE2L2ALDH1A1MAPTTUBB1
SCHEMBL12739523 0.78 NFE2L2 (0.40) RELANFE2L2CYP1A2ALDH1A1LMNA
SCHEMBL14765757 0.78 RELA (0.47) RELANFE2L2ALDH1A1MAPTTUBB1
SCHEMBL12734610 0.78 TUBB1 (0.37) RELAEGFRNFE2L2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190219856-A1 LIQUID CRYSTAL PANEL, SWITCHABLE MIRROR PANEL AND SWITCHABLE MIRROR DISPLAY SHARP KABUSHIKI KAISHA (JP) 2019-07-18 US disclosed