SCHEMBL5200150

SCHEMBL5200150

C=C(C)c1cccc2ccccc12.C=Cc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2B Q14289 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
PLK1 P53350 1/20 0.41
ACHE P22303 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
MMP3 P08254 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
ALDH1A1 P00352 1/20 0.38
F2 P00734 1/20 0.38
LMNA P02545 1/20 0.38
GRIN2D O15399 1/20 0.38

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
Butadiene SCHEMBL10688720 0.86 PTK2B (0.49) PTK2BL3MBTL1KDM4ENR4A1NR4A2
SCHEMBL273123 0.86 PTK2B (0.55) PTK2BL3MBTL1KDM4ENR4A1NR4A2
SCHEMBL29563474 0.86 PTK2B (0.55) PTK2BL3MBTL1KDM4ENR4A1NR4A2
SCHEMBL18141740 0.84 PTK2B (0.53) PTK2BL3MBTL1KDM4ENR4A1NR4A2
SCHEMBL18139677 0.84 PTK2B (0.53) PTK2BL3MBTL1KDM4ENR4A1NR4A2
SCHEMBL18141736 0.84 PTK2B (0.53) PTK2BL3MBTL1KDM4ENR4A1NR4A2
Lithium SCHEMBL18139680 0.84 PTK2B (0.53) PTK2BL3MBTL1KDM4ENR4A1NR4A2
Ammonia Solution, Strong SCHEMBL18140406 0.84 PLK1 (0.55) PTK2BL3MBTL1KDM4ENR4A1NR4A2
SCHEMBL18138979 0.84 PTK2B (0.53) PTK2BL3MBTL1KDM4ENR4A1NR4A2
SCHEMBL18140954 0.84 PTK2B (0.53) PTK2BL3MBTL1KDM4ENR4A1NR4A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1559747-B1 AMORPHOUS POLYESTER RESIN COMPOSITION KANEKA CORP (JP) 2007-03-21 EP disclosed
US-20060122324-A1 Amorphous polyester resin composition KANEKA CORPORATION (JP) 2006-06-08 US disclosed
EP-1559747-A1 AMORPHOUS POLYESTER RESIN COMPOSITION KANEKA CORPORATION (JP) 2005-08-03 EP disclosed