SCHEMBL8728664

SCHEMBL8728664

C=CCOCc1ccc(CCCCC2CCC(CCCC[C@H]3CC[C@H](C=C)CC3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HRH3 Q9Y5N1 1/20 0.31
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
SLC18A3 Q16572 1/20 0.30

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
SCHEMBL8728667 1.00 TDP1 (0.33) TDP1L3MBTL1HRH3ITGB3ITGA2B
SCHEMBL8728671 1.00 TDP1 (0.33) TDP1L3MBTL1HRH3ITGB3ITGA2B
SCHEMBL8728005 0.90 GPR84 (0.35)
SCHEMBL8728003 0.90 GPR84 (0.35)
SCHEMBL8732687 0.89 GPR84 (0.34)
SCHEMBL8732693 0.89 GPR84 (0.34)
SCHEMBL8732685 0.89 GPR84 (0.34)
SCHEMBL8725067 0.88 TDP1 (0.32) TDP1L3MBTL1HRH3ITGB3ITGA2B
SCHEMBL8725061 0.88 TDP1 (0.32) TDP1L3MBTL1HRH3ITGB3ITGA2B
SCHEMBL8727762 0.87 TDP1 (0.36) TDP1L3MBTL1HRH3ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882695-A1 BENZYL ETHER DERIVATIVES, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 1998-12-09 EP disclosed