SCHEMBL4601685

SCHEMBL4601685

C=CC(=O)Oc1c(Nc2ccc(C(F)(F)F)cc2)cccc1OCCOC

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 6/20 0.48
KDM4E B2RXH2 3/20 0.46
HTT P42858 2/20 0.46
KMT2A Q03164 1/20 0.46
EGFR P00533 5/20 0.45
HPGD P15428 2/20 0.42
ALDH1A1 P00352 3/20 0.41
SIRT2 Q8IXJ6 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TGM2 P21980 1/20 0.38
HSD17B10 Q99714 1/20 0.37
HTR2A P28223 1/20 0.37
ITK Q08881 1/20 0.37

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
SCHEMBL4602165 0.87 RXFP1 (0.48) RXFP1KDM4EHTTKMT2AEGFR
SCHEMBL4601218 0.77 MRGPRX4 (0.46) RXFP1KDM4EHTTKMT2AEGFR
SCHEMBL27737213 0.74 RXFP1 (0.45) RXFP1KDM4EHTTKMT2AHPGD
SCHEMBL4601601 0.74 EGFR (0.47) RXFP1KDM4EHTTKMT2AEGFR
SCHEMBL4601338 0.74 EGFR (0.42) RXFP1KDM4EHTTKMT2AEGFR
SCHEMBL4600130 0.73 EGFR (0.47) RXFP1KDM4EHTTKMT2AEGFR
SCHEMBL4601416 0.73 RXFP1 (0.46) RXFP1KDM4EHTTEGFRHPGD
SCHEMBL4600789 0.73 HPGD (0.48) HPGDALDH1A1SMN1; SMN2
SCHEMBL4602169 0.72 EGFR (0.41) RXFP1KDM4EHTTKMT2AEGFR
SCHEMBL4602183 0.71 EGFR (0.47) KMT2AEGFR

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-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 WO disclosed