SCHEMBL103546

SCHEMBL103546

C=Cc1ccc(OCOc2ccc(CCOC(=O)c3ccc(OC(=O)c4ccc(C=C)cc4)c(CO)c3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
TYR P14679 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL16187772 0.87 ESR1 (0.39) MAPTNPC1RAB9ASMN1; SMN2ESR1
SCHEMBL104020 0.86 MAPT (0.48) MAPTNPC1RAB9ASMN1; SMN2ESR1
SCHEMBL13310802 0.80 MAPT (0.53) MAPTNPC1RAB9ASMN1; SMN2ESR1
SCHEMBL17754279 0.80 MAPT (0.40) MAPTNPC1RAB9ASMN1; SMN2ESR1
SCHEMBL102867 0.78 NPC1 (0.54) MAPTNPC1RAB9ASMN1; SMN2ESR1
SCHEMBL103320 0.78 MAPT (0.38) MAPTNPC1RAB9ASMN1; SMN2ESR1
SCHEMBL26079332 0.78 MAPT (0.35) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL103172 0.78 ESR1 (0.55) MAPTNPC1RAB9ASMN1; SMN2ESR1
SCHEMBL12931954 0.77 MAPT (0.41) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL13310804 0.75 TYR (0.41) MAPTNPC1RAB9ASMN1; SMN2ESR1

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-8992796-B2 Polymerizable liquid crystal composition DIC CORPORATION (JP) 2015-03-31 US disclosed
US-20120056129-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2012-03-08 US disclosed