SCHEMBL8727973

SCHEMBL8727973

C=CCC[C@H]1CC[C@H](CCCCc2ccc(CCCCc3ccc(COC/C=C/C)cc3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HRH3 Q9Y5N1 2/20 0.31
FAAH O00519 1/20 0.30
PPARA Q07869 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGA2B P08514 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
SCHEMBL8727977 1.00 TDP1 (0.32) TDP1L3MBTL1HRH3FAAHPPARA
SCHEMBL8727980 1.00 TDP1 (0.32) TDP1L3MBTL1HRH3FAAHPPARA
SCHEMBL8727573 0.92 TDP1 (0.32) TDP1L3MBTL1HRH3FAAH
SCHEMBL8727582 0.92 TDP1 (0.32) TDP1L3MBTL1HRH3FAAH
SCHEMBL8727578 0.92 TDP1 (0.32) TDP1L3MBTL1HRH3FAAH
SCHEMBL8731445 0.88 ALDH1A1 (0.32) TDP1L3MBTL1HRH3
SCHEMBL8731441 0.88 ALDH1A1 (0.32) TDP1L3MBTL1HRH3
SCHEMBL8731438 0.88 ALDH1A1 (0.32) TDP1L3MBTL1HRH3
SCHEMBL8727791 0.87 TDP1 (0.30) TDP1L3MBTL1
SCHEMBL8727794 0.87 TDP1 (0.30) TDP1L3MBTL1

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