SCHEMBL7731426

SCHEMBL7731426

CCCCCC1CCC(C2CCC(CCc3ccc(C(F)(F)Oc4ccc(C(F)(F)F)cc4)cc3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.40
PPARA Q07869 2/20 0.35
PPARD Q03181 1/20 0.35
LSS P48449 3/20 0.35
SLC6A5 Q9Y345 1/20 0.35
PLG P00747 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
TEAD1 P28347 2/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL7731421 1.00 MAOB (0.40) MAOBPPARAPPARDLSSSLC6A5
SCHEMBL7731430 1.00 MAOB (0.40) MAOBPPARAPPARDLSSSLC6A5
SCHEMBL7722912 0.97 MAOB (0.41) MAOBPPARAPPARDLSSSLC6A5
SCHEMBL7722905 0.97 MAOB (0.41) MAOBPPARAPPARDLSSSLC6A5
SCHEMBL7722910 0.97 MAOB (0.41) MAOBPPARAPPARDLSSSLC6A5
SCHEMBL7730796 0.96 MAOB (0.43) MAOBPPARAPPARDLSSSLC6A5
SCHEMBL7730803 0.96 MAOB (0.43) MAOBPPARAPPARDLSSSLC6A5
SCHEMBL7733765 0.93 TSHR (0.36) MAOBALOX5
SCHEMBL7733768 0.93 TSHR (0.36) MAOBALOX5
SCHEMBL7733759 0.93 TSHR (0.36) MAOBALOX5

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-0786445-B1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 2002-07-17 EP disclosed