SCHEMBL30186756

SCHEMBL30186756

CC1(C)c2ccccc2-c2ccc(-c3cccc4c3sc3c(-c5cccc(Br)c5)cccc34)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
PGR P06401 2/20 0.36
CAMK2D Q13557 2/20 0.34
TDP2 O95551 1/20 0.34
PDK2 Q15119 8/20 0.34
MAOB P27338 2/20 0.33
LIMK1 P53667 1/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
GABRA6 Q16445 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
SCHEMBL16111211 1.00 ALOX5 (0.39) ALOX5PGRCAMK2DTDP2PDK2
SCHEMBL10018859 0.91 ALOX5 (0.44) ALOX5PGRPDK2LIMK1
SCHEMBL17057191 0.87 PDK2 (0.42) ALOX5PGRPDK2LIMK1
SCHEMBL10042455 0.85 PGR (0.46) PGRTDP2PDK2MAOBGABRA1
SCHEMBL29789015 0.85 PGR (0.46) PGRTDP2PDK2MAOBGABRA1
SCHEMBL17212384 0.85 ALOX5 (0.39) ALOX5PDK2LIMK1
SCHEMBL12925561 0.84 ALOX5 (0.52) ALOX5PDK2MAOB
SCHEMBL17752306 0.84 PGR (0.45) PGRTDP2PDK2MAOBGABRA1
SCHEMBL10018876 0.84 ALOX5 (0.39) ALOX5PGRPDK2LIMK1
SCHEMBL17200998 0.84 ALOX5 (0.39) ALOX5PDK2LIMK1

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
CN-109616572-B Light emitting device 株式会社半导体能源研究所 2023-01-17 CN disclosed