SCHEMBL17006294

SCHEMBL17006294

Cc1cc(O)ccc1C1(c2ccc(O)cc2C)c2ccccc2-c2ccccc21.O=C(O)c1ccc2c(c1)C(=O)OC2=O.O=C(O)c1ccc2c(c1)C(=O)OC2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 1/20 0.48
ALOX12 P18054 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
PDK2 Q15119 1/20 0.43
CA12 O43570 5/20 0.43
CA7 P43166 5/20 0.43
CA1 P00915 4/20 0.43
CA4 P22748 2/20 0.43
TTR P02766 2/20 0.42
PTPRC P08575 2/20 0.41
KMT2A Q03164 3/20 0.39
CA2 P00918 2/20 0.38
CA9 Q16790 1/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 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
SCHEMBL17006292 0.87 PDK2 (0.44) POLBMAPTPDK2CA12CA7
SCHEMBL17006299 0.87 PDK2 (0.42) POLBMAPTLMNAALOX12NPSR1
SCHEMBL17006302 0.86 PDK2 (0.44) POLBMAPTLMNAALOX12NPSR1
SCHEMBL17006290 0.84 PDK2 (0.40) POLBMAPTLMNAALOX12NPSR1
SCHEMBL15754326 0.83 CA12 (0.46) POLBMAPTLMNAGPR55PDK2
SCHEMBL17006288 0.82 PDK2 (0.38) POLBMAPTLMNAALOX12NPSR1
SCHEMBL17006300 0.81 ESR1 (0.62) POLBMAPTLMNANPSR1PDK2
SCHEMBL516147 0.78 MAPT (0.58) POLBMAPTLMNAALOX12NPSR1
SCHEMBL29480886 0.78 MAPT (0.58) POLBMAPTLMNAALOX12NPSR1
SCHEMBL29824042 0.77 PDK2 (0.49) POLBPDK2CA12CA7CA1

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-20150232665-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT HAVING THEREOF CHI MEI CORPORATION (TW) 2015-08-20 US disclosed