SCHEMBL6684797

SCHEMBL6684797

CCC1(CC)c2ccccc2-c2cccc(-c3ccc4c(-c5cccc6c5C(CC)(CC)c5ccccc5-6)c5ccc(-c6cccc7c6C(CC)(CC)c6ccccc6-7)cc5c(-c5cccc6c5C(CC)(CC)c5ccccc5-6)c4c3)c21

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.32
PDK2 Q15119 1/20 0.31
APEX1 P27695 1/20 0.30
ELANE P08246 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 0.86 PGR (0.36) PGRPDK2APEX1ELANE
SCHEMBL3886412 0.84 PDK2 (0.35) PGRPDK2
SCHEMBL3887351 0.83 PDK2 (0.35) PGRPDK2
SCHEMBL6680362 0.82 APEX1 (0.35) PGRPDK2APEX1ELANE
SCHEMBL27968523 0.82 PDK2 (0.39) PGRPDK2
SCHEMBL6680990 0.81 KIF11 (0.35) PGR
SCHEMBL27572225 0.78 GSTP1 (0.38) PGRPDK2APEX1
SCHEMBL6684790 0.78 PDK2 (0.37) PDK2
SCHEMBL6683913 0.73 PDK2 (0.38) PGRPDK2APEX1
SCHEMBL31235468 0.71 HSD11B1 (0.41) PDK2

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