SCHEMBL13526136

SCHEMBL13526136

COc1ccc(C(C)(C)c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(C(C)(C)c6ccc(OC(=O)Oc7ccc(C(C)(C)c8ccc(OC(C)=O)cc8)cc7)cc6)cc5)ccc3n4-c3ccccc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
MAPT P10636 3/20 0.44
HTT P42858 1/20 0.44
EDNRA P25101 5/20 0.43
KDM4E B2RXH2 1/20 0.43
BACE1 P56817 2/20 0.42
TSPO P30536 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SERPINE1 P05121 1/20 0.39
KDR P35968 1/20 0.39
PPARG P37231 1/20 0.39
PTGES O14684 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 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
SCHEMBL10015730 0.81 BACE1 (0.49) POLBMAPTKDM4EBACE1TDP1
SCHEMBL14682218 0.81 BACE1 (0.49) POLBMAPTKDM4EBACE1TDP1
SCHEMBL13986166 0.81 BACE1 (0.49) POLBMAPTKDM4EBACE1TDP1
SCHEMBL15417137 0.81 BACE1 (0.49) POLBMAPTKDM4EBACE1TDP1
SCHEMBL12960520 0.79 ELANE (0.45) POLBMAPTHTTKDM4EBACE1
SCHEMBL3365404 0.79 KDR (0.56) MAPTHTTEDNRAKDM4ETSPO
SCHEMBL760421 0.78 NPSR1 (0.54) POLBMAPTHTTKDM4EBACE1
SCHEMBL16488964 0.78 HSD17B10 (0.53) POLBMAPTKDM4EBACE1TDP1
SCHEMBL12603929 0.78 LMNA (0.47) POLBMAPTBACE1TDP1LMNA
SCHEMBL13779223 0.77 BACE1 (0.46) POLBMAPTBACE1TDP1LMNA

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-7652126-B2 Bisphenol having conjugated aromatic functionality; active materials for electrooptical and electroluminescent devices; polymerization; economic, high yield GENERAL ELECTRIC COMPANY (US) 2010-01-26 US disclosed