SCHEMBL7731508

SCHEMBL7731508

CCCc1ccc(C(F)(F)Oc2ccc(C(F)(F)Oc3cc(F)c(C#N)c(F)c3)cc2)c(F)c1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
FFAR1 O14842 1/20 0.31
TRPV4 Q9HBA0 1/20 0.30

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
SCHEMBL7732803 0.94 S1PR1 (0.31)
SCHEMBL7729948 0.93 S1PR1 (0.33)
SCHEMBL7722751 0.91 FFAR1 (0.31) ARFFAR1TRPV4
SCHEMBL7733192 0.91 ALPL (0.34) ARKDM4EALDH1A1GLAGAA
SCHEMBL7729800 0.90 AR (0.33) ARKDM4EALDH1A1GLAGAA
SCHEMBL7734937 0.88 KIF11 (0.38) ARKDM4EALDH1A1GLAGAA
SCHEMBL7731387 0.88 ALPL (0.34) ARKDM4EALDH1A1GLAGAA
SCHEMBL7733451 0.88 FFAR1 (0.31) FFAR1
SCHEMBL7732804 0.87 AR (0.31) ARKDM4EALDH1A1GLAGAA
SCHEMBL7722652 0.85 FFAR1 (0.32) FFAR1

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