SCHEMBL13607201

SCHEMBL13607201

Cc1ccc(OCC(C)C)c(OCC(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
GAA P10253 1/20 0.61
MAPT P10636 4/20 0.55
THRB P10828 1/20 0.55
GPR55 Q9Y2T6 1/20 0.55
ACHE P22303 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.43
POLB P06746 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL11963340 0.90 ACHE (0.61) ALDH1A1GAAMAPTTHRBGPR55
SCHEMBL20969213 0.90 ACHE (0.61) ALDH1A1GAAMAPTTHRBGPR55
SCHEMBL13499940 0.86 NPSR1 (0.57) ALDH1A1GAAMAPTTHRBGPR55
SCHEMBL13475539 0.86 TSHR (0.50) ALDH1A1GAAMAPTTHRBGPR55
SCHEMBL3032643 0.86 ALDH1A1 (0.54) ALDH1A1GAAMAPTTHRBGPR55
SCHEMBL10289878 0.82 ALDH1A1 (0.48) ALDH1A1GAAMAPTTHRBGPR55
SCHEMBL13607200 0.82 KDM4E (0.47) ALDH1A1GAAMAPTTHRBGPR55
SCHEMBL19120546 0.82 MAPT (0.56) ALDH1A1GAAMAPTTHRBGPR55
SCHEMBL4774060 0.82 MAPT (0.48) ALDH1A1GAAMAPTTHRBGPR55
SCHEMBL12121013 0.82 ALDH1A1 (0.51) ALDH1A1GAAMAPTTHRBGPR55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013060411-A1 HYPERBRANCHED POLYMERS, METHODS FOR PRODUCING SAME, AND USE OF SAME IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2013-05-02 WO disclosed
US-7615289-B2 Organic electroluminescent polymer having 9,9-di(fluorenyl)-2,7-fluorenyl unit and organic electroluminescent device manufactured using the same SK ENERGY CO., LTD. (KR) 2009-11-10 US disclosed
US-7615289-B2 Organic electroluminescent polymer having 9,9-di(fluorenyl)-2,7-fluorenyl unit and organic electroluminescent device manufactured using the same SK ENERGY CO., LTD. (KR) 2009-11-10 US disclosed
US-20070093643-A1 Organic electroluminescent polymer having 9,9-di(fluorenyl)-2,7-fluorenyl unit and organic electroluminescent device manufactured using the same SK CORPORATION (KR) 2007-04-26 US disclosed
US-20070093643-A1 Organic electroluminescent polymer having 9,9-di(fluorenyl)-2,7-fluorenyl unit and organic electroluminescent device manufactured using the same SK CORPORATION (KR) 2007-04-26 US disclosed