SCHEMBL12242569

SCHEMBL12242569

C=CC(=O)OCOc1ccc(C#Cc2ccc(C(=O)Oc3ccc(OC)cc3)c(F)c2)cc1OCOC(=O)C=C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.37
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 3/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
ALOX12 P18054 1/20 0.34
FLT3 P36888 1/20 0.33
PARP14 Q460N5 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33

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
SCHEMBL19759397 0.80 THRB (0.42) ALDH1A1KDM4EGAA
SCHEMBL12154248 0.79 MAOB (0.39) KMT2AALDH1A1PARP10
SCHEMBL19759392 0.77 APP (0.36) KMT2AALDH1A1KDM4EMEN1FLT3
SCHEMBL12242483 0.77 FFAR1 (0.39) ALDH1A1KDM4ELMNA
SCHEMBL19759255 0.77 KDM4E (0.38) KMT2AALDH1A1KDM4EMEN1HPGD
SCHEMBL16491598 0.76 APP (0.47) KDM4E
SCHEMBL18251858 0.76 PTPN1 (0.38) KMT2AMEN1PTPN2PTPN1
SCHEMBL16425338 0.76 KMT2A (0.53) KMT2AALDH1A1KDM4EMEN1
SCHEMBL16449855 0.75 KMT2A (0.51) KMT2AALDH1A1KDM4EMEN1GAA
SCHEMBL12242566 0.75 FFAR1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8460576-B2 Liquid crystal composition containing polymerizable compound and liquid crystal display element using the same DIC CORPORATION (JP) 2013-06-11 US disclosed
US-20110253936-A1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2011-10-20 US disclosed