SCHEMBL9565253

SCHEMBL9565253

Fc1cccc(F)c1-c1cccc(-c2c(F)cccc2F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.46
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
TRPA1 O75762 1/20 0.39
GRM5 P41594 1/20 0.38
ESR1 P03372 2/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CSNK1D P48730 1/20 0.36
CSNK1E P49674 1/20 0.36
MAPK14 Q16539 1/20 0.36
HSD17B1 P14061 2/20 0.35
HSD17B2 P37059 2/20 0.35
ESR2 Q92731 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL26570742 0.87 TAAR1 (0.50) TTRMEN1KMT2AHSD17B1HSD17B2
SCHEMBL16809181 0.83 CSNK1E (0.51) CSNK1DCSNK1EMAPK14NPC1RAB9A
SCHEMBL6509046 0.83 MAOA (0.54) ALOX5APFEN1MEN1KMT2ACA1
SCHEMBL30549059 0.83 MAOA (0.54) ALOX5APFEN1MEN1KMT2ACA1
SCHEMBL2093620 0.83 TTR (0.39) TTRALOX5APFEN1TRPA1GRM5
SCHEMBL5390122 0.82 TTR (0.58) TTRESR1MEN1KMT2AESR2
SCHEMBL14152886 0.81 TTR (0.47) TTRALOX5APFEN1TRPA1ESR1
Hydrochloric Acid SCHEMBL30833257 0.80 TTR (0.56) TTRESR1MEN1KMT2AMAPK14
SCHEMBL16127491 0.79 IKBKB (0.53)
SCHEMBL9249473 0.78 TTR (0.43) TTRALOX5APFEN1TRPA1GRM5

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-0534388-A1 Tungsten-imido catalysts for ring-opening metathesis polymerization of cycloolefins HERCULES INCORPORATED (US) 1993-03-31 EP disclosed