SCHEMBL12716952

SCHEMBL12716952

CC(O)C1CCC(c2ccc(OCC3CCC(c4ccc(C5CO5)c(F)c4)CC3)c(F)c2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 1/20 0.36
▸ FFAR1 O14842 9/20 0.35
▸ CNR2 P34972 2/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ SCN9A Q15858 3/20 0.33
▸ SCN5A Q14524 1/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ HTR2C P28335 2/20 0.32
▸ HTR2B P41595 2/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 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
SCHEMBL13586372 0.94 FFAR1 (0.36) FPR2FFAR1CNR2GPR119SCN9A
SCHEMBL13586280 0.90 FFAR1 (0.35) FPR2FFAR1CNR2HTR2AHTR2C
SCHEMBL12716607 0.89 FPR2 (0.34) FPR2FFAR1CNR2GPR119SCN9A
SCHEMBL12821709 0.88 KDM1A (0.41) FPR2FFAR1CNR2SCN9ASCN5A
SCHEMBL12822744 0.88 CNR2 (0.37) FPR2CNR2SCN9ASCN5AHTR2A
SCHEMBL12821090 0.87 GSTO1 (0.30) —
SCHEMBL12821156 0.87 FPR2 (0.38) FPR2FFAR1CNR2SCN9ASCN5A
SCHEMBL13586130 0.86 FPR2 (0.36) FPR2CNR2SCN9AHTR2AHTR2C
SCHEMBL12717094 0.84 FPR2 (0.36) FPR2FFAR1CNR2HTR2AHTR2C
SCHEMBL12823343 0.84 FFAR1 (0.34) FPR2FFAR1CNR2SCN9AHTR2A

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
EP-2305627-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2011-04-06 — — EP disclosed
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
Send feedback