SCHEMBL13769769

SCHEMBL13769769

COC(=O)CC12CCCC3CC(c4ccc(I)cc4)(CC3C1)C2

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A3 Q01959 1/20 0.32
LMNA P02545 2/20 0.31
GAA P10253 1/20 0.30
HTT P42858 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
SCHEMBL13769224 0.89 LMNA (0.41) MEN1KMT2ALMNA
SCHEMBL13769529 0.83 HIF1A (0.37)
SCHEMBL14518609 0.82 LMNA (0.39) MEN1KMT2ALMNA
SCHEMBL13769236 0.78 LMNA (0.34) MEN1KMT2ASLC6A3LMNAGAA
SCHEMBL14518843 0.78 KMT2A (0.34) MEN1KMT2A
SCHEMBL2255527 0.78 MEN1 (0.52) MEN1KMT2ALMNAGAAHTT
SCHEMBL13769993 0.78 DGAT1 (0.54)
SCHEMBL2255191 0.75 DGAT1 (0.38) KMT2ALMNAHTT
SCHEMBL14794814 0.68 OPRM1 (0.40) KMT2ALMNAGAAHTT
SCHEMBL13769528 0.66 MEN1 (0.45) MEN1KMT2ALMNAGAAHTT

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-2009081195-A1 CARBAMOYL COMPOUNDS AS DGAT1 INHIBITORS 190 ASTRAZENECA AB (SE) 2009-07-02 WO disclosed