SCHEMBL13586513

SCHEMBL13586513

CCc1ccc(-c2ccc(-c3ccc(COc4ccc(C5CO5)c(F)c4)cc3)c(F)c2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 3/20 0.38
▸ MAOB P27338 8/20 0.38
▸ GRM5 P41594 1/20 0.38
▸ FFAR1 O14842 3/20 0.37
▸ MAOA P21397 3/20 0.37
▸ PTPN7 P35236 1/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL13586515 0.91 FFAR1 (0.39) F10MAOBGRM5FFAR1MAOA
SCHEMBL12822769 0.91 FFAR1 (0.43) F10MAOBFFAR1MEN1NPC1
SCHEMBL12907670 0.88 F10 (0.38) F10MAOBGRM5FFAR1MAOA
SCHEMBL13586402 0.86 F10 (0.35) F10MAOBGRM5FFAR1MAOA
SCHEMBL12823864 0.86 FFAR1 (0.40) F10MAOBGRM5FFAR1MAOA
SCHEMBL12822904 0.86 FFAR4 (0.36) F10MAOBFFAR1BRD4
SCHEMBL13586502 0.86 F10 (0.36) F10MAOBGRM5FFAR1MAOA
SCHEMBL12822845 0.86 F10 (0.36) F10MAOBGRM5FFAR1MAOA
SCHEMBL13586473 0.85 FFAR1 (0.38) F10MAOBGRM5FFAR1
SCHEMBL12907723 0.85 FFAR1 (0.37) F10MAOBGRM5FFAR1MAOA

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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