SCHEMBL2380010

SCHEMBL2380010

Cc1cc2c(-c3ccc4ccccc4c3)c3cc(C)c(C)cc3c(-c3ccc4ccccc4c3)c2cc1C.Cc1cc2c(-c3ccc4ccccc4c3)c3cc(C)c(C)cc3c(-c3ccc4ccccc4c3)c2cc1C.c1ccc2cc3c(-c4cccc5cc6ccccc6cc45)cccc3cc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
CYP1A2 P05177 4/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
IKBKB O14920 1/20 0.40
GSTP1 P09211 1/20 0.40
ALOX5 P09917 1/20 0.39
HSD17B1 P14061 2/20 0.38
HSD17B2 P37059 2/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CYP2A6 P11509 2/20 0.37
GPR84 Q9NQS5 1/20 0.37
PIM1 P11309 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL29416662 0.87 IKBKB (0.49) HDAC4HDAC2HDAC8CYP1A2ALDH1A1
SCHEMBL260950 0.87 IKBKB (0.49) HDAC4HDAC2HDAC8CYP1A2ALDH1A1
SCHEMBL3424483 0.85 ALOX5 (0.50) HDAC4HDAC2HDAC8CYP1A2ALDH1A1
SCHEMBL28078261 0.84 PIM1 (0.42) HDAC4HDAC2HDAC8CYP1A2ALDH1A1
SCHEMBL1041948 0.79 GSTP1 (0.55) HDAC4HDAC2HDAC8CYP1A2ALDH1A1
SCHEMBL29451176 0.79 GSTP1 (0.55) HDAC4HDAC2HDAC8CYP1A2ALDH1A1
Anthracene SCHEMBL27770411 0.79 GSTP1 (0.55) HDAC4HDAC2HDAC8CYP1A2ALDH1A1
SCHEMBL20598295 0.78 IKBKB (0.49) HDAC4HDAC2HDAC8CYP1A2ALDH1A1
SCHEMBL6691189 0.78 GSTP1 (0.53) HDAC4HDAC2HDAC8ALDH1A1HSD17B10
SCHEMBL27889944 0.78 GSTP1 (0.53) HDAC4HDAC2HDAC8ALDH1A1HSD17B10

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
US-8017252-B2 Light emitting device and electronic appliance using the same SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-09-13 US disclosed