SCHEMBL13664899

SCHEMBL13664899

CC(CNC(=O)OC(C)(C)C)CNc1ccc(Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.48
HTT P42858 2/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.42
POLB P06746 1/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
MAPK1 P28482 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
AAK1 Q2M2I8 1/20 0.38
EPHX1 P07099 1/20 0.38
EPHX2 P34913 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL13664819 0.80 STK17B (0.52) HTTLMNA
SCHEMBL13664868 0.80 STK17B (0.55) HTTLMNAMAPTMEN1KMT2A
SCHEMBL13664796 0.78 MEN1 (0.40) HTTLMNATSHRPOLBMAPT
SCHEMBL13665284 0.77 AAK1 (0.43) HTTLMNAPOLBMAPTMEN1
SCHEMBL1105702 0.76 PCSK9 (0.50) PCSK9LMNAMEN1KMT2AAAK1
SCHEMBL13664688 0.76 KMT2A (0.42) HTTLMNATSHRPOLBMAPT
SCHEMBL19932072 0.75 EGFR (0.57) HTTLMNAPOLBMAPTMEN1
SCHEMBL30524647 0.75 F2R (0.43) HTTLMNATSHRHPGDCYP3A4
SCHEMBL13664865 0.75 ITGB1 (0.36) HTTLMNATSHRPOLBMAPT
SCHEMBL16303890 0.75 EPHX1 (0.58) HTTLMNAPOLBMAPTMEN1

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
WO-2009119528-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-01 WO disclosed