SCHEMBL104020

SCHEMBL104020

C=Cc1ccc(OCOc2ccc(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 8/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
KMT2A Q03164 5/20 0.40
TYR P14679 1/20 0.39
THRB P10828 2/20 0.38
LMNA P02545 2/20 0.38
GFER P55789 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 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
SCHEMBL13310802 0.94 MAPT (0.53) MAPTRAB9ANPC1SMN1; SMN2ESR1
SCHEMBL12931954 0.90 MAPT (0.41) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL13310808 0.87 KMT2A (0.47) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL103294 0.87 KMT2A (0.47) MAPTRAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL102867 0.86 NPC1 (0.54) MAPTRAB9ANPC1SMN1; SMN2ESR1
SCHEMBL103546 0.86 MAPT (0.41) MAPTRAB9ANPC1SMN1; SMN2ESR1
SCHEMBL103320 0.86 MAPT (0.38) MAPTRAB9ANPC1SMN1; SMN2ESR1
SCHEMBL103172 0.85 ESR1 (0.55) MAPTRAB9ANPC1SMN1; SMN2ESR1
SCHEMBL15582412 0.85 MAPT (0.48) MAPTRAB9ANPC1SMN1; SMN2ESR1
SCHEMBL103544 0.85 MAPT (0.48) MAPTRAB9ANPC1SMN1; 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