SCHEMBL7112377

SCHEMBL7112377

CCCCCCCCCOc1c[c]ccc1CCCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.41
CNR1 P21554 8/20 0.41
TSHR P16473 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
HTT P42858 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.39
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL7108160 1.00 CNR2 (0.41) CNR2CNR1TSHRMEN1KMT2A
SCHEMBL7107986 1.00 CNR2 (0.41) CNR2CNR1TSHRMEN1KMT2A
SCHEMBL7106248 1.00 CNR2 (0.41) CNR2CNR1TSHRMEN1KMT2A
SCHEMBL27660862 0.90 CYP1A2 (0.40) CNR2CNR1TSHRMEN1KMT2A
SCHEMBL27660863 0.90 CYP1A2 (0.40) CNR2CNR1TSHRMEN1KMT2A
SCHEMBL8626175 0.86 CNR2 (0.39) CNR2CNR1
SCHEMBL8630397 0.86 CNR2 (0.39) CNR2CNR1
SCHEMBL8626652 0.86 CNR2 (0.39) CNR2CNR1
SCHEMBL8626614 0.86 CNR2 (0.39) CNR2CNR1
SCHEMBL8624595 0.86 CNR2 (0.39) CNR2CNR1

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-1349822-A1 FLUORINATED AROMATIC COMPOUNDS AND THE USE OF THE SAME IN LIQUID CRYSTAL MIXTURES CLARIANT INTERNATIONAL LTD. (CH) 2003-10-08 EP disclosed
WO-2002055463-A1 FLUORINATED AROMATIC COMPOUNDS AND THE USE OF THE SAME IN LIQUID CRYSTAL MIXTURES CLARIANT INTERNATIONAL LTD. (CH) 2002-07-18 WO disclosed