SCHEMBL8728678

SCHEMBL8728678

CC=CC1CCC(CCCCc2ccc(-c3ccc(COC)cc3)cc2)CC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ACP1 P24666 1/20 0.31
HTR6 P50406 1/20 0.30
PTGS2 P35354 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
SCHEMBL8728666 1.00 ERN1 (0.31) ERN1GPR84TDP1L3MBTL1ACP1
SCHEMBL8728680 1.00 ERN1 (0.31) ERN1GPR84TDP1L3MBTL1ACP1
SCHEMBL8728668 1.00 ERN1 (0.31) ERN1GPR84TDP1L3MBTL1ACP1
SCHEMBL8730664 0.96 TDP1 (0.33) TDP1L3MBTL1
SCHEMBL8730668 0.96 TDP1 (0.33) TDP1L3MBTL1
SCHEMBL8730659 0.96 TDP1 (0.33) TDP1L3MBTL1
SCHEMBL8730674 0.96 TDP1 (0.33) TDP1L3MBTL1
SCHEMBL8727240 0.91 GPR84 (0.38) ERN1GPR84HTR6PTGS2
SCHEMBL8727245 0.91 GPR84 (0.38) ERN1GPR84HTR6PTGS2
SCHEMBL8727250 0.91 GPR84 (0.38) ERN1GPR84HTR6PTGS2

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