SCHEMBL6166131

SCHEMBL6166131

COc1c(O)cc(C)c(CCc2c(C)cc(O)c(OC)c2C)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
ALOX5 P09917 5/20 0.42
APP P05067 1/20 0.39
IMPDH2 P12268 1/20 0.39
CYP3A4 P08684 2/20 0.39
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
DRD2 P14416 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35

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
SCHEMBL6164889 0.94 ALOX5 (0.45) TDP1ALOX5APPIMPDH2CYP3A4
SCHEMBL19463397 0.91 ALOX5 (0.46) TDP1ALOX5APPIMPDH2CYP3A4
SCHEMBL68787 0.88 TDP1 (0.45) TDP1ALOX5APPIMPDH2CYP3A4
SCHEMBL29659488 0.88 TDP1 (0.45) TDP1ALOX5APPIMPDH2CYP3A4
SCHEMBL19464017 0.86 TDP1 (0.43) TDP1ALOX5APPIMPDH2CYP3A4
SCHEMBL3141949 0.80 CYP3A4 (0.41) TDP1ALOX5APPIMPDH2CYP3A4
SCHEMBL4622981 0.79 TDP1 (0.52) TDP1ALOX5IMPDH2CYP3A4MAPT
SCHEMBL28272590 0.79 TDP1 (0.52) TDP1ALOX5IMPDH2CYP3A4MAPT
SCHEMBL17773091 0.77 TDP1 (0.50) TDP1ALOX5CYP3A4MAPTMEN1
SCHEMBL10008427 0.77 TDP1 (0.50) TDP1ALOX5IMPDH2CYP3A4MAPT

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-1138719-B1 POLYIMIDE/POLYARYLATE RESIN COMPOSITIONS AND MOLDINGS THEREOF TEIJIN LTD (JP) 2005-02-16 EP disclosed
US-6610794-B1 Excellent heat resistance, moldability, dimensional stability and transparency TEIJIN LIMITED (JP) 2003-08-26 US disclosed
EP-1138719-A1 POLYIMIDE/POLYARYLATE RESIN COMPOSITIONS AND MOLDINGS THEREOF TEIJIN LIMITED (JP) 2001-10-04 EP disclosed