SCHEMBL6680988

SCHEMBL6680988

CCC1(CC)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(CC)(CC)c4ccccc4-5)c4cc(C(C)(C)C)ccc34)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PLA2G1B P04054 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP3 P42574 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
PGR P06401 1/20 0.34
RORA P35398 1/20 0.34
RORC P51449 1/20 0.34
RORB Q92753 1/20 0.34
KIF11 P52732 2/20 0.34
PDK2 Q15119 11/20 0.33
DNMT1 P26358 3/20 0.32

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
SCHEMBL6683913 0.87 PDK2 (0.38) PGRPDK2
SCHEMBL6684790 0.86 PDK2 (0.37) PDK2
SCHEMBL3886407 0.84 PDK2 (0.39) ALDH1A1PGRRORARORCRORB
SCHEMBL6680358 0.83 PDK2 (0.39) PGRPDK2
SCHEMBL6680990 0.82 KIF11 (0.35) NPC1RAB9AALDH1A1PLA2G1BNFKB1
SCHEMBL3887347 0.82 PDK2 (0.39) PDK2
SCHEMBL13936997 0.81 PDK2 (0.40) PDK2
SCHEMBL13937001 0.79 PDK2 (0.40) PDK2
SCHEMBL4370411 0.79 ALOX5 (0.43) PGRPDK2GPR84
SCHEMBL19153048 0.79 NPC1 (0.41) NPC1RAB9AALDH1A1PLA2G1BNFKB1

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
WO-2004053018-A1 ELECTROLUMINESCENT DEVICES XIE SHUANG (CA) 2004-06-24 WO disclosed
US-20030215667-A1 Electroluminescent devices ELIGHT CORPORATION (VG) 2003-11-20 US disclosed