SCHEMBL4601601

SCHEMBL4601601

C=CC(=O)Oc1c(O)cccc1OCCOC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.47
LMNA P02545 3/20 0.39
JAK2 O60674 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 3/20 0.39
THRA P10827 1/20 0.39
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
PTPN1 P18031 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
HTR2A P28223 1/20 0.34
GRM2 Q14416 1/20 0.34
ITK Q08881 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4600130 0.85 EGFR (0.47) EGFRLMNATHRBTHRAKDM4E
SCHEMBL6653138 0.83 TP53 (0.47) LMNAMAPTTHRBTHRAKDM4E
SCHEMBL4602183 0.82 EGFR (0.47) EGFRGAAMAPTTHRBKMT2A
SCHEMBL4601033 0.81 EGFR (0.44) EGFRTHRBTHRAKDM4EHTR2A
SCHEMBL4600843 0.81 RAB9A (0.50) EGFRLMNAMAPTKDM4EALDH1A1
SCHEMBL4601338 0.81 EGFR (0.42) EGFRTHRBTHRAKDM4ERXFP1
SCHEMBL8953416 0.81 LMNA (0.41) LMNAJAK2GAAMAPTKDM4E
SCHEMBL4600628 0.79 EGFR (0.47) EGFRLMNAJAK2GAAMAPT
SCHEMBL4602061 0.78 PDE4B (0.42) EGFRALDH1A1HTR2AGRM2KMT2A
SCHEMBL4600070 0.78 EGFR (0.42) EGFRHTR2AGRM2KMT2A

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