SCHEMBL22112264

SCHEMBL22112264

N#CC1=CCC(c2ccc3oc4ccc(Cl)cc4c3c2)C=C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 7/20 0.39
KCNH2 Q12809 1/20 0.34
PSMB8 P28062 2/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33
GPR35 Q9HC97 1/20 0.32

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
SCHEMBL21468255 0.67 TTR (0.43) AHRGABRPGABRDGABRA1GABRB1
SCHEMBL2282515 0.66 AHR (0.78) AHRGABRPGABRDGABRA1GABRB1
SCHEMBL24268388 0.63 AHR (0.79) AHRTTRTNKSADORA3ALDH1A1
SCHEMBL22953780 0.62 AHR (0.54) AHRTTRTNKSADORA3ALDH1A1
SCHEMBL22092459 0.62 AHR (0.50) AHRKCNH2PSMB8GABRPGABRD
SCHEMBL8128583 0.60 AHR (0.73) AHRTTRCDC25ACDC25CALDH1A1
SCHEMBL8268084 0.59
SCHEMBL2281402 0.59 AHR (0.77) AHRTTRTNKSADORA3ALDH1A1
SCHEMBL13784324 0.59
SCHEMBL22810130 0.59 CA1 (0.32)

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
WO-2020122614-A1 ORGANIC COMPOUND, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 두산솔루스 주식회사 2020-06-18 WO disclosed