SCHEMBL13586402

SCHEMBL13586402

C/C=C/c1ccc(-c2ccc(-c3ccc(COc4ccc(C5CO5)c(F)c4)cc3)c(F)c2F)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 3/20 0.35
▸ LCK P06239 1/20 0.35
▸ MAOB P27338 6/20 0.35
▸ FFAR1 O14842 3/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ MAOA P21397 2/20 0.34
▸ BACE1 P56817 1/20 0.33
▸ PTGES O14684 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ KCNA3 P22001 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ STAT3 P40763 1/20 0.32

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
SCHEMBL13586502 0.88 F10 (0.36) F10MAOBFFAR1GRM5BRD4
SCHEMBL12994489 0.87 F10 (0.35) F10MAOBFFAR1GRM5MAOA
SCHEMBL13586515 0.87 FFAR1 (0.39) F10MAOBFFAR1GRM5MAOA
SCHEMBL12822769 0.86 FFAR1 (0.43) F10MAOBFFAR1
SCHEMBL13586513 0.86 F10 (0.38) F10MAOBFFAR1GRM5BRD4
SCHEMBL13586572 0.85 GSK3B (0.34) FFAR1BACE1FFAR4
SCHEMBL13586460 0.85 BRD4 (0.39) BRD4
SCHEMBL12822373 0.84 FFAR4 (0.34) KCNA3FFAR4
SCHEMBL13586325 0.84 FFAR4 (0.34) KCNA3FFAR4
SCHEMBL12907755 0.83 ALDH1A1 (0.35) F10BRD4S1PR1S1PR3KCNA3

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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