SCHEMBL21085333

SCHEMBL21085333

CC(C)(C)c1cc(I)cc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.37
HSD17B10 Q99714 4/20 0.37
HIF1A Q16665 1/20 0.37
CYP1B1 Q16678 1/20 0.37
CYP1A2 P05177 3/20 0.36
CYP2A6 P11509 3/20 0.36
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
KIF11 P52732 1/20 0.34
HPGD P15428 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
TRPM4 Q8TD43 1/20 0.33
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
HTR2A P28223 1/20 0.32
NQO2 P16083 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GLA P06280 1/20 0.31

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
SCHEMBL28386866 0.86 NQO1 (0.35) ALDH1A1HSD17B10HIF1ACYP1B1CYP2A6
SCHEMBL21758855 0.82 ALDH1A1 (0.32) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL24712674 0.78 CYP1A2 (0.57) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL15853141 0.78 CYP1A2 (0.41) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL26579482 0.78 CYP1A2 (0.39) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL21758861 0.77 CYP1A2 (0.38) ALDH1A1HSD17B10CYP1A2CYP2A6TSHR
SCHEMBL24817483 0.77 ALDH1A1 (0.34) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL17030753 0.76 ALDH1A1 (0.40) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL12401757 0.76 CYP2A6 (0.40) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL2454488 0.76 CYP2A6 (0.40) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4206210-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2023-07-05 EP disclosed
EP-3613751-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2020-02-26 EP disclosed
EP-3492528-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2019-06-05 EP disclosed