SCHEMBL14767258

SCHEMBL14767258

C=CCOc1ccc(OC(=O)C2CCC(c3ccc(C4CCC(OCC)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.37
KDM4E B2RXH2 1/20 0.35
HTR2C P28335 8/20 0.34
HTR2B P41595 3/20 0.34
HCRTR2 O43614 3/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTR2A P28223 6/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ADRB2 P07550 1/20 0.31
HTR1A P08908 1/20 0.31
CHRM5 P08912 1/20 0.31
ADRA2A P08913 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 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
SCHEMBL14766329 1.00 HPGD (0.37) HPGDKDM4EHTR2CHTR2BHCRTR2
SCHEMBL14766729 0.91 HPGD (0.37) HPGDKDM4EHCRTR2KMT2AMEN1
SCHEMBL14766757 0.91 HPGD (0.37) HPGDKDM4EHCRTR2KMT2AMEN1
SCHEMBL14766343 0.91 HPGD (0.37) HPGDKDM4EHTR2CHTR2BHCRTR2
SCHEMBL14766769 0.90 HPGD (0.35) HPGDKDM4EHTR2CHTR2BHCRTR2
SCHEMBL12742066 0.90 HPGD (0.36) HPGDKDM4EHTR2CHTR2BPOLB
SCHEMBL12737172 0.90 HPGD (0.36) HPGDKDM4EHTR2CHTR2BPOLB
SCHEMBL14766044 0.89 HPGD (0.43) HPGDHCRTR2POLBKMT2AMEN1
SCHEMBL14767287 0.89 HPGD (0.43) HPGDHCRTR2POLBKMT2AMEN1
SCHEMBL14766980 0.89 POLB (0.39) HPGDKDM4EHTR2CHTR2BHCRTR2

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed