SCHEMBL6663835

SCHEMBL6663835

CCCCCc1ccc(C(F)(F)OCCc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.43
ALOX5 P09917 1/20 0.41
PPARG P37231 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
CYP3A4 P08684 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLCO1B3 Q9NPD5 1/20 0.40
SLCO1B1 Q9Y6L6 1/20 0.40
STS P08842 1/20 0.39
THRB P10828 2/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL6667378 0.99 FAAH (0.45) FAAHALOX5PPARGHDAC3HDAC1
SCHEMBL6667588 0.99 FAAH (0.45) FAAHALOX5PPARGHDAC3HDAC1
SCHEMBL6666329 0.99 FAAH (0.45) FAAHALOX5PPARGHDAC3HDAC1
SCHEMBL6664171 0.99 FAAH (0.45) FAAHALOX5PPARGHDAC3HDAC1
SCHEMBL6662964 0.99 FAAH (0.45) FAAHALOX5PPARGHDAC3HDAC1
SCHEMBL6663739 0.96 ALOX5 (0.41) FAAHALOX5PPARGHDAC3HDAC1
SCHEMBL6666700 0.90 TSHR (0.41) ALOX5PPARGHDAC3HDAC1HDAC2
SCHEMBL6662949 0.90 FAAH (0.46) FAAHALDH1A1LMNACYP3A4SLC6A4
SCHEMBL6664946 0.89 TSHR (0.42) ALOX5PPARGALDH1A1TSHRSLC6A4
SCHEMBL7731294 0.89 FAAH (0.47) FAAHHDAC3HDAC1HDAC2ALDH1A1

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