SCHEMBL7731445

SCHEMBL7731445

CCc1cc(F)c(C(F)(F)Oc2ccc(-c3cc(F)c(C#N)c(F)c3)cc2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.33
FASN P49327 1/20 0.33
PGR P06401 1/20 0.33
AR P10275 1/20 0.33
KIF11 P52732 1/20 0.33
PRMT6 Q96LA8 1/20 0.32
ADORA1 P30542 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
GLA P06280 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
NRP1 O14786 1/20 0.31
TRPV4 Q9HBA0 1/20 0.30
GRIA2 P42262 1/20 0.30
GRIA4 P48058 1/20 0.30
SQOR Q9Y6N5 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
SCHEMBL7722816 0.91 CTSS (0.33) DHODHFASNPGRARKIF11
SCHEMBL7730485 0.89 TSHR (0.35) FASNPGRARKIF11KDM4E
SCHEMBL7730572 0.88 TRPV4 (0.33) DHODHNRP1TRPV4
SCHEMBL7735394 0.88 TSHR (0.40) FASNKDM4EMAPTMEN1ALDH1A1
SCHEMBL7732093 0.87 PRMT6 (0.36) DHODHKIF11PRMT6CYP11B1CYP11B2
SCHEMBL7731547 0.87 DHODH (0.31) DHODH
SCHEMBL7732941 0.86 PRMT6 (0.35) KIF11PRMT6CYP11B1CYP11B2
SCHEMBL7732827 0.86 KIF11 (0.39) DHODHFASNPGRARKIF11
SCHEMBL7731469 0.85 PPARA (0.34) DHODHFASNPGRARKIF11
SCHEMBL7730665 0.82 PRMT6 (0.38) DHODHKIF11PRMT6

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 2 patents. 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
EP-0786445-A1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-07-30 EP disclosed