SCHEMBL18729633

SCHEMBL18729633

Cc1ccccc1-c1cc(CC(C)C)ccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
FFAR1 O14842 1/20 0.43
CYP1A2 P05177 11/20 0.43
CYP2C19 P33261 10/20 0.43
CYP2D6 P10635 8/20 0.43
CLK4 Q9HAZ1 6/20 0.43
MAPK1 P28482 4/20 0.43
TSHR P16473 3/20 0.43
TP53 P04637 1/20 0.43
HIF1A Q16665 1/20 0.43
TGFBR1 P36897 1/20 0.42
CYP3A4 P08684 6/20 0.42
ALDH1A1 P00352 6/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 2/20 0.42
NR3C2 P08235 1/20 0.40
HPGD P15428 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 3/20 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
SCHEMBL16526753 0.86 TGFBR1 (0.45) PDCD1CD274FFAR1CYP1A2CYP2C19
SCHEMBL16526775 0.84 TGFBR1 (0.46) FFAR1CYP1A2CYP2C19CYP2D6CLK4
SCHEMBL14654424 0.83 PDCD1 (0.44) PDCD1CD274FFAR1CYP1A2CYP2C19
SCHEMBL19373346 0.82 FFAR1 (0.46) PDCD1CD274FFAR1CYP1A2CYP2C19
SCHEMBL14614562 0.79 FFAR1 (0.47) PDCD1CD274FFAR1CYP1A2CYP2C19
SCHEMBL17426493 0.79 PDCD1 (0.45) PDCD1CD274TGFBR1
SCHEMBL3851867 0.79 ASIC3 (0.49) PDCD1CD274FFAR1ALDH1A1NR3C2
SCHEMBL19258030 0.79 CASP3 (0.43) FFAR1CYP1A2CYP2C19CYP2D6CLK4
SCHEMBL12866764 0.78 FFAR1 (0.43) PDCD1CD274FFAR1CYP1A2CYP2C19
SCHEMBL3855108 0.78 ASIC3 (0.47) PDCD1CD274FFAR1ALDH1A1NR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020036375-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2020-02-20 WO disclosed
EP-3000816-B1 A FIRST DEVICE COMPRISING IRIDIUM COMPLEXES WITH AZA-BENZO FUSED LIGANDS UNIVERSAL DISPLAY CORP (US) 2017-12-20 EP disclosed
EP-3231809-A2 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2017-10-18 EP disclosed
EP-3220439-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2017-09-20 EP disclosed
EP-3001480-B1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORP (US) 2017-04-12 EP disclosed