SCHEMBL8971565

SCHEMBL8971565

CCCCCC1CCC(C(=O)Oc2ccc(-c3ccc(-c4ccc(OC)c(F)c4F)cc3)c(F)c2)CO1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
RARB P10826 1/20 0.32
ERN1 O75460 1/20 0.32
MCHR1 Q99705 1/20 0.32
APP P05067 1/20 0.32
FAAH O00519 1/20 0.31
ABL1 P00519 1/20 0.31
PDE4D Q08499 2/20 0.31
FFAR4 Q5NUL3 2/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31

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
SCHEMBL8971500 0.82 FFAR4 (0.34) HPGDRARBABL1FFAR4
SCHEMBL8970564 0.82 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3MCHR1FFAR4
SCHEMBL8971257 0.82 FPR2 (0.32) KDM4ERARBFFAR4
SCHEMBL8971343 0.81 RARB (0.39) KMT2ASLC6A2SLC6A4SLC6A3CYP2C19
SCHEMBL15340188 0.81 FFAR4 (0.33) ABL1FFAR4
SCHEMBL8971819 0.81 RARB (0.37) RARBFAAH
SCHEMBL8971939 0.81 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3MCHR1APP
SCHEMBL8943565 0.80 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3
SCHEMBL8943998 0.79 FPR2 (0.36) SLC6A2SLC6A4SLC6A3CYP2C19CYP3A4
SCHEMBL8970923 0.78 NAAA (0.38) SLC6A2SLC6A4SLC6A3RARB

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
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed