SCHEMBL8730664

SCHEMBL8730664

C/C=C/C1CCC(CCCCC2CCC(CCCCc3ccc(COC)cc3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HRH3 Q9Y5N1 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NMT1 P30419 2/20 0.31
PPARA Q07869 3/20 0.31
TRPV1 Q8NER1 1/20 0.31
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
SLC18A3 Q16572 1/20 0.30
PPARG P37231 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
SCHEMBL8730659 1.00 TDP1 (0.33) TDP1L3MBTL1HRH3KDM4EALDH1A1
SCHEMBL8730674 1.00 TDP1 (0.33) TDP1L3MBTL1HRH3KDM4EALDH1A1
SCHEMBL8730668 1.00 TDP1 (0.33) TDP1L3MBTL1HRH3KDM4EALDH1A1
SCHEMBL8728666 0.96 ERN1 (0.31) TDP1L3MBTL1
SCHEMBL8728680 0.96 ERN1 (0.31) TDP1L3MBTL1
SCHEMBL8728678 0.96 ERN1 (0.31) TDP1L3MBTL1
SCHEMBL8728668 0.96 ERN1 (0.31) TDP1L3MBTL1
SCHEMBL8724997 0.90 MAOB (0.36)
SCHEMBL8724999 0.90 MAOB (0.36)
SCHEMBL8724990 0.90 MAOB (0.36)

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