SCHEMBL18540246

SCHEMBL18540246

C=CCCc1ccc(COc2ccc(-c3ccc(CC/C=C/C)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.46
FFAR4 Q5NUL3 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
GSTP1 P09211 1/20 0.38
APP P05067 3/20 0.38
MAOB P27338 2/20 0.38
MMP12 P39900 1/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
LTA4H P09960 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL18540166 1.00 FFAR1 (0.46) FFAR1FFAR4SIGMAR1GSTP1APP
SCHEMBL18540171 0.93 FFAR1 (0.43) FFAR1FFAR4SIGMAR1GSTP1APP
SCHEMBL18540257 0.93 FFAR1 (0.51) FFAR1FFAR4SIGMAR1GSTP1APP
SCHEMBL18540081 0.91 FFAR1 (0.41) FFAR1FFAR4SIGMAR1GSTP1MMP12
SCHEMBL18540252 0.89 FFAR1 (0.50) FFAR1FFAR4GSTP1APPMAOB
SCHEMBL18540078 0.88 FFAR1 (0.49) FFAR1FFAR4APPMAOBLTA4H
SCHEMBL18540076 0.86 FFAR1 (0.47) FFAR1FFAR4APPMAOBLTA4H
SCHEMBL18540077 0.84 APP (0.50) FFAR1FFAR4APPMAOBNPC1
SCHEMBL18540241 0.84 FFAR1 (0.43) FFAR1FFAR4GSTP1MAOB
SCHEMBL18540046 0.83 LTA4H (0.49) FFAR1FFAR4SIGMAR1APPMAOB

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