SCHEMBL6398447

SCHEMBL6398447

C[SiH](C)OC1CCC(C(C)(C)C)CCCC1(O)Cc1ccccn1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
FKBP1A P62942 1/20 0.33
HPGD P15428 2/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 1/20 0.31
RECQL P46063 1/20 0.31
GRM1 Q13255 1/20 0.31
GRIN2B Q13224 1/20 0.31
HRH3 Q9Y5N1 2/20 0.30
DPP4 P27487 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL6405512 0.68 FDFT1 (0.36) KMT2AHRH3
SCHEMBL6399785 0.65 OPRM1 (0.32) KMT2AMEN1MAPTTSHR
SCHEMBL6398449 0.64 CYP46A1 (0.37) KMT2AMEN1ALDH1A1FKBP1AHPGD
SCHEMBL17481975 0.63 SMN1; SMN2 (0.42) KMT2AMAPTTSHR
SCHEMBL17481976 0.63 SMN1; SMN2 (0.42) KMT2AMAPTTSHR
SCHEMBL17297800 0.63 SMN1; SMN2 (0.42) KMT2AMAPTTSHR
SCHEMBL12776472 0.60 L3MBTL1 (0.58) KMT2AALDH1A1
SCHEMBL17031761 0.60 HRH3 (0.41) ALDH1A1MAPTGAAHRH3
SCHEMBL19844766 0.59 LMNA (0.51) KMT2AALDH1A1MAPT
SCHEMBL16051233 0.59 CYP46A1 (0.50) GAAGRIN2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949585-B2 Cyclooctanone derivatives and cyclodecanone derivative, and use thereof EISAI CO., LTD. (JP) 2005-09-27 US disclosed
EP-1375465-A9 CYCLOOCTANONE DERIVATIVE AND CYCLODECANONE DERIVATIVE, AND USE THEREOF Eisai Co., Ltd. (JP) 2004-04-14 EP disclosed
EP-1375479-A1 PYRROLIDINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME Eisai Co., Ltd. (JP) 2004-01-02 EP disclosed