SCHEMBL6680362

SCHEMBL6680362

CCC1(CC)c2ccccc2-c2cccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.35
ACHE P22303 2/20 0.34
PGR P06401 2/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
THRB P10828 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ELANE P08246 2/20 0.31
KDM4E B2RXH2 1/20 0.31
RCE1 Q9Y256 1/20 0.31
PDK2 Q15119 1/20 0.30
ENPP1 P22413 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
SCHEMBL6683917 0.92 PGR (0.36) APEX1PGRELANEPDK2
SCHEMBL6684797 0.82 PGR (0.32) APEX1PGRELANEPDK2
SCHEMBL3886412 0.81 PDK2 (0.35) PGRPDK2
SCHEMBL6680358 0.81 PDK2 (0.39) APEX1ACHEPGRPDK2
SCHEMBL3887351 0.80 PDK2 (0.35) PGRPDK2
Ammonia Solution, Strong SCHEMBL27746262 0.80 APEX1 (0.36) APEX1PGRPDCD1CD274THRB
SCHEMBL6680990 0.78 KIF11 (0.35) PGR
Biphenyl SCHEMBL27967333 0.76 APEX1 (0.46) APEX1PGRPDCD1CD274THRB
SCHEMBL6683913 0.75 PDK2 (0.38) APEX1PGRPDK2
SCHEMBL27096236 0.73 PDK2 (0.41) APEX1PGRELANEPDK2

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