SCHEMBL21758895

SCHEMBL21758895

CC(C)c1cc(I)cc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.47
GABRB2 P47870 2/20 0.47
GABRB1 P18505 1/20 0.47
ALDH1A1 P00352 3/20 0.37
HIF1A Q16665 1/20 0.37
CYP1B1 Q16678 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 3/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2A6 P11509 1/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1B P35368 1/20 0.36
UGT2B7 P16662 1/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL28388181 0.85 GABRA1 (0.44) GABRA1GABRB2GABRB1ALDH1A1HIF1A
SCHEMBL2173494 0.78 UGT2B7 (0.44) GABRA1GABRB2ALDH1A1HIF1ACYP1B1
SCHEMBL6366989 0.78 CYP1A2 (0.57) ALDH1A1HIF1ACYP1B1HSD17B10CYP1A2
SCHEMBL23979720 0.78 CYP1A2 (0.46) GABRA1GABRB2ALDH1A1HIF1ACYP1B1
SCHEMBL21758854 0.77 GABRA1 (0.44) GABRA1GABRB2GABRB1ALDH1A1HSD17B10
SCHEMBL25059970 0.77 TRPM4 (0.46) GABRA1GABRB2ALDH1A1HIF1ACYP1B1
SCHEMBL21302107 0.76 ALDH1A1 (0.45) ALDH1A1HIF1ACYP1B1HSD17B10CYP1A2
SCHEMBL7835784 0.76 ALDH1A1 (0.37) GABRA1GABRB2ALDH1A1HIF1ACYP1B1
SCHEMBL19067389 0.76 NQO2 (0.55) GABRA1GABRB2GABRB1ALDH1A1HIF1A
SCHEMBL12407082 0.76 GABRA1 (0.47) GABRA1GABRB2GABRB1ALDH1A1HIF1A

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-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