SCHEMBL17944352

SCHEMBL17944352

CC1(C)c2ccccc2-c2ccc3c(sc4cc(-c5c6ccccc6c(-c6cccc(-c7ccc8ccccc8c7)c6)c6ccccc56)ccc43)c21

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.33
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
LIMK1 P53667 1/20 0.30
CHRNA1 P02708 1/20 0.30
CHRNG P07510 1/20 0.30
CHRNB1 P11230 1/20 0.30
CHRNB2 P17787 1/20 0.30
SLC6A2 P23975 1/20 0.30
CHRNB4 P30926 1/20 0.30
SLC6A4 P31645 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
SLC6A3 Q01959 1/20 0.30
CHRND Q07001 1/20 0.30

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
SCHEMBL19077154 0.92 ALOX5 (0.31) ALOX5
SCHEMBL19077065 0.90 LPL (0.31)
SCHEMBL19077010 0.90 CYP1A2 (0.30) HSD17B1HSD17B2
SCHEMBL17944752 0.90 ALOX5 (0.35) ALOX5HSD17B1HSD17B2CHRNA1CHRNG
SCHEMBL19077049 0.89
SCHEMBL19081131 0.89 CYP1A1 (0.31) ALOX5HSD17B1HSD17B2
SCHEMBL19081124 0.89 HSD17B1 (0.30) HSD17B1HSD17B2
SCHEMBL19077263 0.88 ALOX5 (0.31) ALOX5
SCHEMBL19077075 0.88 CYP1A1 (0.31)
SCHEMBL17945762 0.88 ALOX5 (0.33) ALOX5HSD17B1HSD17B2LIMK1CHRNA1

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
US-20160218297-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-28 US disclosed
US-20160218297-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-28 US disclosed