SCHEMBL2380338

SCHEMBL2380338

CC(C)(C)c1ccc2c(-c3cccc4ccccc34)c3ccccc3c(-c3cccc4ccccc34)c2c1.CC(C)(C)c1ccc2c(-c3cccc4ccccc34)c3ccccc3c(-c3cccc4ccccc34)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.44
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
PLA2G1B P04054 1/20 0.42
NFKB1 P19838 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
DHFR P00374 1/20 0.40
MAPK14 Q16539 1/20 0.39
NR1I2 O75469 1/20 0.39
LMNA P02545 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL261638 1.00 KIF11 (0.44) KIF11ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL5050124 1.00 KIF11 (0.44) KIF11ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL29416697 1.00 KIF11 (0.44) KIF11ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL261123 0.94 KIF11 (0.41) KIF11ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL29416683 0.94 KIF11 (0.41) KIF11ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL24411563 0.91 PPARG (0.42) KIF11ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL25655653 0.90 GPR84 (0.41) KIF11ALDH1A1NPC1PLA2G1BNFKB1
SCHEMBL1103618 0.88 KDR (0.49) KIF11KCNQ3KCNQ2KDR
SCHEMBL20681880 0.87 PPARG (0.37) KIF11ALDH1A1GAAMEN1POLB
SCHEMBL13319771 0.87 PGR (0.35) KIF11ALDH1A1NPC1PLA2G1BNFKB1

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