SCHEMBL9710451

SCHEMBL9710451

CCCCCCCCCc1ccc(I)c(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.47
TP53 P04637 2/20 0.47
CYP3A4 P08684 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
ALOX5 P09917 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LIPG Q9Y5X9 1/20 0.41
ESR1 P03372 2/20 0.36
ADRA2A P08913 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
TACR2 P21452 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KCNH2 Q12809 2/20 0.36

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
SCHEMBL9723218 1.00 TYR (0.47) TYRTP53CYP3A4MAPTMEN1
SCHEMBL7461780 1.00 TYR (0.47) TYRTP53CYP3A4MAPTMEN1
SCHEMBL9710326 1.00 TYR (0.47) TYRTP53CYP3A4MAPTMEN1
SCHEMBL9723288 1.00 TYR (0.47) TYRTP53CYP3A4MAPTMEN1
SCHEMBL9723199 0.98 TYR (0.44) TYRTP53CYP3A4MAPTMEN1
SCHEMBL14634080 0.92 TYR (0.44) TYRTP53CYP3A4MAPTMEN1
SCHEMBL7526800 0.92 TYR (0.41) TYRTP53CYP3A4MAPTMEN1
SCHEMBL6889220 0.84 CTSL (0.39) TYR
SCHEMBL7764711 0.84 LIPG (0.47) TYRTP53CYP3A4MAPTMEN1
SCHEMBL13235167 0.84 TYR (0.42) TYRTP53CYP3A4MAPTMEN1

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
EP-0518636-A1 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES LTD. (JP) 1992-12-16 EP disclosed