SCHEMBL8727345

SCHEMBL8727345

C=CC[C@H]1CC[C@H](CCCCc2ccc(-c3ccc(COC)cc3)cc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.33
ERN1 O75460 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTGS2 P35354 1/20 0.31
HTR6 P50406 1/20 0.31
HRH3 Q9Y5N1 2/20 0.30
KCNH2 Q12809 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL8727349 1.00 ACP1 (0.33) ACP1ERN1GPR84TDP1L3MBTL1
SCHEMBL8727618 0.92 TDP1 (0.32) TDP1L3MBTL1HRH3KDM4EALDH1A1
SCHEMBL8727633 0.92 TDP1 (0.32) TDP1L3MBTL1HRH3KDM4EALDH1A1
SCHEMBL8727629 0.92 TDP1 (0.32) TDP1L3MBTL1HRH3KDM4EALDH1A1
SCHEMBL8725245 0.91 GPR84 (0.39) ERN1GPR84PTGS2HTR6HRH3
SCHEMBL8725242 0.91 GPR84 (0.39) ERN1GPR84PTGS2HTR6HRH3
SCHEMBL8731264 0.90 ERN1 (0.32) ACP1ERN1GPR84TDP1L3MBTL1
SCHEMBL8731269 0.90 ERN1 (0.32) ACP1ERN1GPR84TDP1L3MBTL1
SCHEMBL8731971 0.86 MAOB (0.37) GPR84
SCHEMBL8731976 0.86 MAOB (0.37) GPR84

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