SCHEMBL18540252

SCHEMBL18540252

C=CCCc1ccc(COc2ccc(-c3ccc(CCC=C)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.50
APP P05067 2/20 0.46
GSTP1 P09211 1/20 0.45
MAOB P27338 4/20 0.45
LTA4H P09960 1/20 0.44
EPHX2 P34913 1/20 0.44
MMP12 P39900 1/20 0.43
PARP10 Q53GL7 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
BCHE P06276 2/20 0.42

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
SCHEMBL18540077 0.94 APP (0.50) FFAR1APPMAOBLTA4HEPHX2
SCHEMBL18540074 0.93 APP (0.48) FFAR1APPMAOBLTA4HEPHX2
SCHEMBL18540166 0.89 FFAR1 (0.46) FFAR1APPGSTP1MAOBLTA4H
SCHEMBL18540246 0.89 FFAR1 (0.46) FFAR1APPGSTP1MAOBLTA4H
SCHEMBL18540043 0.89 LTA4H (0.51) FFAR1APPMAOBLTA4HEPHX2
SCHEMBL18540084 0.87 LTA4H (0.46) FFAR1APPGSTP1MAOBLTA4H
SCHEMBL18540129 0.86 S1PR1 (0.42) FFAR1APPGSTP1MAOBMMP12
SCHEMBL18540239 0.86 MAOB (0.43) FFAR1APPGSTP1MAOBFFAR4
SCHEMBL18540170 0.85 PTPN2 (0.43) FFAR1GSTP1
SCHEMBL18310390 0.84 MAOB (0.36) FFAR1MAOBMMP12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170051206-A1 LIQUID CRYSTAL COMPOUND HAVING ALKENYL ON BOTH ENDS, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2017-02-23 US disclosed
US-20170051206-A1 LIQUID CRYSTAL COMPOUND HAVING ALKENYL ON BOTH ENDS, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2017-02-23 US disclosed