SCHEMBL103544

SCHEMBL103544

C=Cc1ccc(COOc2ccc(CCOC(=O)c3ccc(OC(=O)c4ccc(C=C)cc4)cc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
TYR P14679 1/20 0.39
KMT2A Q03164 8/20 0.38
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
MEN1 O00255 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
MET P08581 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL13310802 0.91 MAPT (0.53) MAPTRAB9ANPC1SMN1; SMN2ESR1
SCHEMBL104020 0.85 MAPT (0.48) MAPTRAB9ANPC1SMN1; SMN2ESR1
SCHEMBL102867 0.83 NPC1 (0.54) MAPTRAB9ANPC1SMN1; SMN2ESR1
SCHEMBL103172 0.83 ESR1 (0.55) MAPTRAB9ANPC1SMN1; SMN2ESR1
SCHEMBL15582432 0.80 MAPT (0.53) MAPTRAB9ANPC1SMN1; SMN2ESR1
SCHEMBL16429671 0.77 SMN1; SMN2 (0.76) MAPTRAB9ANPC1SMN1; SMN2ESR1
SCHEMBL12931954 0.77 MAPT (0.41) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL12242814 0.77 MAPT (0.50) MAPTRAB9ANPC1SMN1; SMN2ESR1
SCHEMBL2732921 0.77 BCHE (0.42) RAB9ANPC1KMT2AMEN1
SCHEMBL12090747 0.76 MAPT (0.51) MAPTRAB9ANPC1SMN1; SMN2KMT2A

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