SCHEMBL7729800

SCHEMBL7729800

CCCc1ccc(C(F)(F)Oc2ccc(CCc3cc(F)c(C#N)c(F)c3)cc2)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.33
ALPL P05186 1/20 0.33
ALPI P09923 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
FFAR1 O14842 1/20 0.32
DAO P14920 2/20 0.32
CTSS P25774 2/20 0.31
CTSK P43235 2/20 0.31
DHODH Q02127 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
SCHEMBL7730751 0.93 S1PR1 (0.34) ARALDH1A1KDM4EHPGDMEN1
SCHEMBL7731392 0.92 TSHR (0.37) ALDH1A1MEN1KMT2A
SCHEMBL7733182 0.92 DAO (0.33) ARTRPV4FFAR1DAODHODH
SCHEMBL7734937 0.91 KIF11 (0.38) ARALDH1A1KDM4EGLAGAA
SCHEMBL7731508 0.90 AR (0.32) ARALDH1A1KDM4EGLAGAA
SCHEMBL7731387 0.88 ALPL (0.34) ARALPLALPIALDH1A1KDM4E
SCHEMBL7731340 0.88 ALPL (0.34) ARALPLALPIALDH1A1KDM4E
SCHEMBL7729833 0.87 DAO (0.34) ALDH1A1KMT2AFFAR1DAO
SCHEMBL7732832 0.84 KIF11 (0.36) ARALDH1A1KDM4EMEN1MAPT
SCHEMBL7722745 0.84 DAO (0.36) FFAR1DAO

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