SCHEMBL13614398

SCHEMBL13614398

Fc1ccccc1-c1ccc(-c2cc(F)c(F)c(F)c2)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.56
PTPN1 P18031 1/20 0.56
FEN1 P39748 10/20 0.53
ALOX5AP P20292 7/20 0.53
PDK2 Q15119 1/20 0.47
ACMSD Q8TDX5 1/20 0.46
TNKS O95271 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
BACE1 P56817 1/20 0.45
TRPA1 O75762 1/20 0.45
MAP4K4 O95819 1/20 0.42
DHODH Q02127 1/20 0.42
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL30665737 0.91 PTPRC (0.48) PTPRCPTPN1FEN1ALOX5APPDK2
SCHEMBL13439489 0.91 PTPRC (0.48) PTPRCPTPN1FEN1ALOX5APPDK2
SCHEMBL16850562 0.85 PTPRC (0.58) PTPRCPTPN1FEN1ALOX5APPDK2
SCHEMBL17951222 0.85 PTPRC (0.58) PTPRCPTPN1FEN1ALOX5APPDK2
SCHEMBL18857290 0.83 PTPRC (0.56) PTPRCPTPN1FEN1ALOX5APPDK2
SCHEMBL13614776 0.83 ALOX5AP (0.43) PTPRCPTPN1FEN1ALOX5APDHODH
SCHEMBL18231889 0.83 ALOX5AP (0.43) PTPRCPTPN1FEN1ALOX5APDHODH
SCHEMBL17108386 0.82 ESR1 (0.41) PTPRCPTPN1FEN1ALOX5APACMSD
SCHEMBL17840122 0.82 FEN1 (0.42) PTPRCPTPN1FEN1ALOX5AP
SCHEMBL18708607 0.81 PTPRC (0.50) PTPRCPTPN1FEN1ALOX5APPDK2

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-2925834-B1 LENS ELEMENT MERCK PATENT GMBH (DE) 2018-07-04 EP disclosed
EP-2116522-A1 PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING CF<SB>2</SB>O BONDING GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY Chisso Corporation (JP) 2009-11-11 EP disclosed