SCHEMBL13586515

SCHEMBL13586515

CCCc1ccc(-c2ccc(-c3ccc(COc4ccc(C5CO5)c(F)c4)cc3)c(F)c2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 3/20 0.39
▸ F10 P00742 2/20 0.37
▸ PTGES O14684 1/20 0.37
▸ MAOB P27338 6/20 0.36
▸ S1PR1 P21453 4/20 0.36
▸ S1PR3 Q99500 3/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ FFAR4 Q5NUL3 2/20 0.36
▸ MAOA P21397 2/20 0.35

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
SCHEMBL12822614 0.94 MAOB (0.39) FFAR1PTGESMAOBS1PR1SENP8
SCHEMBL13586513 0.91 F10 (0.38) FFAR1F10MAOBGRM5MAOA
SCHEMBL12907723 0.90 FFAR1 (0.37) FFAR1F10MAOBS1PR1GRM5
SCHEMBL12822769 0.89 FFAR1 (0.43) FFAR1F10MAOBSENP8SENP7
SCHEMBL12823265 0.87 FFAR4 (0.39) FFAR1FFAR4
SCHEMBL12717209 0.87 FFAR4 (0.37) FFAR1F10S1PR1FFAR4
SCHEMBL13586402 0.87 F10 (0.35) FFAR1F10PTGESMAOBS1PR1
SCHEMBL13586473 0.85 FFAR1 (0.38) FFAR1F10MAOBGRM5
SCHEMBL13586379 0.85 BRD4 (0.39) S1PR1
SCHEMBL12823864 0.85 FFAR1 (0.40) FFAR1F10MAOBS1PR1S1PR3

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
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — WO disclosed
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