SCHEMBL17944752

SCHEMBL17944752

CC1(C)c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccc6ccccc6c5)c4)c4ccccc34)cc2-c2ccc3c(sc4ccccc43)c21

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.35
ALK Q9UM73 1/20 0.32
S1PR5 Q9H228 3/20 0.31
S1PR4 O95977 2/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
MAPT P10636 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
SCHEMBL17944355 0.96 ALOX5 (0.35) ALOX5ALKS1PR5S1PR4MAPT
SCHEMBL19081124 0.93 HSD17B1 (0.30) HSD17B1HSD17B2
SCHEMBL19108304 0.92 ALOX5 (0.36) ALOX5ALKS1PR5S1PR4MAPT
SCHEMBL19108486 0.91 ALOX5 (0.34) ALOX5ALKS1PR5S1PR4
SCHEMBL19109612 0.90 ALOX5 (0.35) ALOX5ALKHSD17B1HSD17B2MAPT
SCHEMBL19108376 0.90 ALOX5 (0.35) ALOX5ALKMAPT
SCHEMBL24342620 0.90 ALOX5 (0.35) ALOX5ALKS1PR5S1PR4MAPT
SCHEMBL17944352 0.90 ALOX5 (0.33) ALOX5HSD17B1HSD17B2CHRNA1CHRNG
SCHEMBL24341513 0.89 ALOX5 (0.33) ALOX5ALK
SCHEMBL18268664 0.89 ALOX5 (0.36) ALOX5ALKS1PR5S1PR4MAPT

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