SCHEMBL16614124

SCHEMBL16614124

Brc1cccc(C2(c3ccccc3)c3ccccc3-c3c2ccc2c3oc3ccccc32)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.36
PGR P06401 1/20 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
EGFR P00533 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL16614181 0.90 PGR (0.35) ALOX5PGRESR1ESR2OPRM1
SCHEMBL30818204 0.89 PGR (0.39) ALOX5PGRESR1ESR2PRKDC
SCHEMBL18382952 0.89 PGR (0.39) ALOX5PGRESR1ESR2PRKDC
SCHEMBL17879495 0.84 ALOX5 (0.40) ALOX5PGRGABRPGABRDGABRA1
SCHEMBL16491813 0.83 ALOX5 (0.39) ALOX5PGRGABRPGABRDGABRA1
SCHEMBL440140 0.83 ALOX5 (0.41) ALOX5GABRPGABRDGABRA1GABRB1
SCHEMBL15990196 0.82 ALOX5 (0.39) ALOX5PGRGABRPGABRDGABRA1
SCHEMBL19395183 0.82 ALOX5 (0.39) ALOX5PGRGABRPGABRDGABRA1
SCHEMBL16232653 0.82 ALOX5 (0.39) ALOX5PGRGABRPGABRDGABRA1
SCHEMBL21102300 0.82 ALOX5 (0.44) ALOX5GABRPGABRDGABRA1GABRB1

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-2015046955-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-04-02 WO disclosed