SCHEMBL3247577

SCHEMBL3247577

CC(C)(C)OC(=O)N1CC[C@H](C(C)(C)O[SiH2]C(C)(C)C)[C@@H](CCOC2CCCCO2)C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PDE4B Q07343 1/20 0.35
GPR119 Q8TDV5 7/20 0.35
RECQL P46063 1/20 0.34
EPHX1 P07099 1/20 0.34
HPGD P15428 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TRPV3 Q8NET8 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33

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
SCHEMBL3252636 0.82 JAK2 (0.39) MEN1KMT2AALDH1A1MAPTPDE4B
SCHEMBL3246092 0.80 MEN1 (0.39) MEN1KMT2AALDH1A1MAPTPDE4B
SCHEMBL3247572 0.76 MEN1 (0.36) MEN1KMT2AALDH1A1MAPTPDE4B
SCHEMBL23249978 0.75 RECQL (0.47) MEN1KMT2AALDH1A1MAPTGPR119
SCHEMBL22973125 0.72 RECQL (0.44) MEN1KMT2AALDH1A1MAPTPDE4B
SCHEMBL21458845 0.72 RECQL (0.44) MEN1KMT2AALDH1A1MAPTPDE4B
SCHEMBL23910164 0.71 NR1H2 (0.42) MEN1KMT2AALDH1A1MAPTPDE4B
SCHEMBL23860091 0.71 NR1H2 (0.42) MEN1KMT2AALDH1A1MAPTPDE4B
SCHEMBL3247963 0.70 MAPT (0.40) MEN1KMT2AALDH1A1MAPTGPR119
SCHEMBL1018270 0.69 NR1H2 (0.48) MEN1KMT2AALDH1A1MAPTPDE4B

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-1799674-B1 NEW PIPERIDINE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2010-05-05 EP disclosed