SCHEMBL7733482

SCHEMBL7733482

CCCc1ccc(C(F)(F)Oc2ccc(C(F)(F)Oc3ccc(C#N)c(F)c3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.39
TRPV4 Q9HBA0 5/20 0.38
CYP11B1 P15538 4/20 0.36
CYP11B2 P19099 4/20 0.36
DAO P14920 1/20 0.34
ACACB O00763 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
PGR P06401 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7722882 0.94 DAO (0.40) ARTRPV4CYP11B1CYP11B2DAO
SCHEMBL7732790 0.93 NPC1 (0.37) ARTRPV4CYP11B1CYP11B2DAO
SCHEMBL7731592 0.92 TSHR (0.39) ARTRPV4CYP11B1CYP11B2ALDH1A1
SCHEMBL7735351 0.90 TRPV4 (0.39) ARTRPV4CYP11B1CYP11B2ACACB
SCHEMBL7732553 0.87 DAO (0.39) ARTRPV4CYP11B1CYP11B2DAO
SCHEMBL7730247 0.87 DAO (0.40) ARTRPV4CYP11B1CYP11B2DAO
SCHEMBL7733192 0.86 ALPL (0.34) ARTRPV4CTSSCTSKKDM4E
SCHEMBL7729846 0.86 DAO (0.38) ARTRPV4CYP11B1CYP11B2DAO
SCHEMBL7729700 0.86 TRPV4 (0.35) ARTRPV4CYP11B1CYP11B2
SCHEMBL7729698 0.86 TRPV4 (0.35) ARTRPV4CYP11B1CYP11B2

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