SCHEMBL880988

SCHEMBL880988

Fc1cc(-c2c(F)cccc2F)cc(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.43
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
CES2 O00748 3/20 0.34
CES1 P23141 3/20 0.34
BCHE P06276 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TRPA1 O75762 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
PTGES O14684 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL9249473 0.79 TTR (0.43) TTRALOX5APFEN1TRPA1GRM5
SCHEMBL18855031 0.78 AKR1C2 (0.44) LMNAHSD17B1HSD17B2SLC6A4
SCHEMBL9565253 0.78 TTR (0.46) TTRALOX5APFEN1CES2CES1
SCHEMBL14152886 0.77 TTR (0.47) TTRALOX5APFEN1PDE3BPDE3A
SCHEMBL2709632 0.77 HPRT1 (0.35) CES2CES1NPC1LMNAAR
SCHEMBL1710681 0.75 TTR (0.41) TTRALOX5APFEN1PDE3BPDE3A
SCHEMBL29000156 0.75 ACHE (0.43) TTRALOX5APFEN1PTGESCSNK1D
SCHEMBL2725203 0.75 CYP1A2 (0.37) AR
SCHEMBL2710387 0.75 CYP1A2 (0.40) NPC1RAB9AAR
SCHEMBL14555702 0.75 TRPV4 (0.48) TTRALOX5APFEN1

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-2433923-A1 CHLOROBENZENE DERIVATIVE, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM, AND OPTICAL ELEMENT JNC Corporation (JP) 2012-03-28 EP disclosed