SCHEMBL8731237

SCHEMBL8731237

C=CC1CCC(CCc2ccc(-c3ccc(COCCC)cc3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.36
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
HRH3 Q9Y5N1 4/20 0.32
TDP1 Q9NUW8 1/20 0.31
NAAA Q02083 1/20 0.30
GBA1 P04062 1/20 0.30
UGCG Q16739 1/20 0.30
GBA2 Q9HCG7 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
SCHEMBL8731231 1.00 GPR84 (0.36) GPR84MAOBMAOAL3MBTL1GABRA1
SCHEMBL8731153 0.96 MAOB (0.36) GPR84MAOBMAOAL3MBTL1HRH3
SCHEMBL8731156 0.96 MAOB (0.36) GPR84MAOBMAOAL3MBTL1HRH3
SCHEMBL8726998 0.95 MAOB (0.36) GPR84MAOBMAOAL3MBTL1HRH3
SCHEMBL8726997 0.95 MAOB (0.36) GPR84MAOBMAOAL3MBTL1HRH3
SCHEMBL8726994 0.95 MAOB (0.36) GPR84MAOBMAOAL3MBTL1HRH3
SCHEMBL8726776 0.93 L3MBTL1 (0.38) GPR84MAOBMAOAL3MBTL1HRH3
SCHEMBL8726772 0.93 L3MBTL1 (0.38) GPR84MAOBMAOAL3MBTL1HRH3
SCHEMBL8730973 0.93 MAOB (0.34) GPR84MAOBMAOAL3MBTL1HRH3
SCHEMBL8730983 0.93 MAOB (0.34) GPR84MAOBMAOAL3MBTL1HRH3

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