SCHEMBL12374331

SCHEMBL12374331

CCCCOc1cc(C)cc(C2(c3cc(C)cc(OCCCC)c3)c3cc(C)ccc3-c3ccc(C)cc32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.40
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ELANE P08246 1/20 0.35
LTA4H P09960 2/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
PLK1 P53350 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL12374338 0.92 NPC1 (0.37) PDK2MAPTKMT2ADRD2DRD4
SCHEMBL12374337 0.88 PTGS2 (0.36) PDK2NPC1RAB9AELANEMAPK1
SCHEMBL12374343 0.87 PDK2 (0.43) PDK2MAPTKMT2ADRD2DRD4
SCHEMBL12374332 0.86 PDK2 (0.39) PDK2MAPTKMT2AMEN1NPC1
SCHEMBL12620452 0.84 PDK2 (0.45) PDK2KMT2AMEN1NPC1RAB9A
SCHEMBL13589739 0.83 NR5A1 (0.46) PDK2NPC1RAB9ALTA4HPLK1
SCHEMBL6123912 0.83 NR5A1 (0.46) PDK2NPC1RAB9ALTA4HPLK1
SCHEMBL12619832 0.82 LTA4H (0.46) PDK2MAPTKMT2ADRD2DRD4
SCHEMBL12018767 0.82 PDK2 (0.45) PDK2NPC1RAB9ALTA4HPLK1
SCHEMBL12620447 0.81 PDK2 (0.43) PDK2MAPTKMT2AMEN1NPC1

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-20110187266-A1 POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-04 US disclosed