SCHEMBL12375059

SCHEMBL12375059

C=C(C)C(=O)COc1ccc(CCOC(=O)c2ccc(OCOC(=O)C(=C)C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
TYR P14679 1/20 0.36
KMT2A Q03164 1/20 0.36
MAOB P27338 1/20 0.34

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
SCHEMBL19342366 0.88 MAPT (0.50) MAPTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL19497884 0.85 MAPT (0.47) MAPTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL12375058 0.84 TDP1 (0.39) MAPTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL19342372 0.82 MAPT (0.41) MAPTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL17754250 0.82 TDP1 (0.44) MAPTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL19342371 0.81 MAPT (0.42) MAPTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL12375034 0.81 KMT2A (0.44) MAPTPOLBAPEX1HTTTDP1
SCHEMBL12242504 0.80 TDP1 (0.44) MAPTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL19342373 0.80 SMN1; SMN2 (0.41) MAPTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL12242512 0.80 POLB (0.42) MAPTRAB9ANPC1SMN1; SMN2POLB

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-8440101-B2 Liquid crystal composition containing polymerizable compound and liquid crystal display element using the same DIC CORPORATION (JP) 2013-05-14 US disclosed
US-20110186776-A1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2011-08-04 US disclosed