SCHEMBL6663739

SCHEMBL6663739

CCCCc1ccc(C(F)(F)OCCc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.41
PPARG P37231 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
TSHR P16473 1/20 0.40
SLC6A4 P31645 4/20 0.38
SLC6A3 Q01959 4/20 0.38
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
FAAH O00519 1/20 0.38
ALDH1A1 P00352 2/20 0.37
DAO P14920 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
PTGES O14684 1/20 0.36
PCSK9 Q8NBP7 1/20 0.36
PPARA Q07869 2/20 0.36
PPARD Q03181 1/20 0.36
MEN1 O00255 1/20 0.35
USP2 O75604 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
SCHEMBL6663835 0.96 FAAH (0.43) ALOX5PPARGHDAC3HDAC1HDAC2
SCHEMBL6667378 0.95 FAAH (0.45) ALOX5PPARGHDAC3HDAC1HDAC2
SCHEMBL6662964 0.95 FAAH (0.45) ALOX5PPARGHDAC3HDAC1HDAC2
SCHEMBL6667588 0.95 FAAH (0.45) ALOX5PPARGHDAC3HDAC1HDAC2
SCHEMBL6664171 0.95 FAAH (0.45) ALOX5PPARGHDAC3HDAC1HDAC2
SCHEMBL6666329 0.95 FAAH (0.45) ALOX5PPARGHDAC3HDAC1HDAC2
SCHEMBL6666700 0.92 TSHR (0.41) ALOX5PPARGHDAC3HDAC1HDAC2
SCHEMBL6664946 0.90 TSHR (0.42) ALOX5PPARGTSHRSLC6A4SLC6A3
SCHEMBL7732506 0.88 HDAC3 (0.45) ALOX5PPARGHDAC3HDAC1HDAC2
SCHEMBL7722668 0.88 HDAC3 (0.45) ALOX5PPARGHDAC3HDAC1HDAC2

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-0893423-B1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORP (JP) 2004-09-01 EP disclosed