SCHEMBL7731340

SCHEMBL7731340

CCCc1cc(F)c(C(F)(F)Oc2ccc(CCc3cc(F)c(C#N)c(F)c3)cc2)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
THRB P10828 1/20 0.33
AR P10275 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
CTSS P25774 2/20 0.31
CTSK P43235 2/20 0.31
DHODH Q02127 1/20 0.31
DAO P14920 1/20 0.31
AS3MT Q9HBK9 2/20 0.31
GPR84 Q9NQS5 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
SCHEMBL7735399 0.93 TSHR (0.34) ALDH1A1NPSR1TRPV4THRBHPGD
SCHEMBL7730572 0.93 TRPV4 (0.33) TRPV4DHODHDAOGPR84
SCHEMBL7722550 0.92 HSD17B10 (0.39) ALDH1A1MEN1KMT2ATHRBKDM4E
SCHEMBL7722816 0.91 CTSS (0.33) ALDH1A1MEN1MAPTKMT2ANPSR1
SCHEMBL7731387 0.90 ALPL (0.34) ALPLALPIALDH1A1MEN1MAPT
SCHEMBL7732804 0.90 AR (0.31) ALDH1A1ARKDM4EGLAGAA
SCHEMBL7729800 0.88 AR (0.33) ALPLALPIALDH1A1MEN1MAPT
SCHEMBL7734936 0.86 THRB (0.36) ALDH1A1MAPTKMT2ATHRBDAO
SCHEMBL7730459 0.86 DAO (0.38) ALDH1A1THRBDAOGPR84
SCHEMBL7733192 0.84 ALPL (0.34) ALPLALPIALDH1A1MEN1MAPT

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