SCHEMBL4964643

SCHEMBL4964643

CCCCCC(O[Si](C)(C)C)(O[Si](C)(C)C)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.36
SMPD1 P17405 5/20 0.36
CES2 O00748 1/20 0.35
SCN5A Q14524 3/20 0.33
SCN9A Q15858 3/20 0.33
GGPS1 O95749 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL28181789 0.76 SMPD1 (0.41) FDPSSMPD1CES2MEN1MAPT
SCHEMBL28256972 0.76 SMPD1 (0.41) FDPSSMPD1CES2MEN1MAPT
SCHEMBL28424850 0.76 SMPD1 (0.41) FDPSSMPD1CES2MEN1MAPT
SCHEMBL28057025 0.76 SMPD1 (0.41) FDPSSMPD1CES2MEN1MAPT
SCHEMBL10944414 0.71 MEN1 (0.40) FDPSSMPD1CES2MEN1MAPT
SCHEMBL10943438 0.71 MEN1 (0.40) FDPSSMPD1CES2MEN1MAPT
SCHEMBL10341597 0.71 FDPS (0.47) FDPSSMPD1CES2GGPS1
SCHEMBL11315446 0.71 FDPS (0.47) FDPSSMPD1CES2GGPS1
SCHEMBL28006927 0.71 FDPS (0.36) FDPSSMPD1CES2MEN1MAPT
SCHEMBL1257556 0.71 SMPD1 (0.43) FDPSSMPD1CES2GGPS1MEN1

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-1883634-A2 PROCESS FOR PREPARING SIMVASTATIN AND INTERMEDIATES THEREOF Teva Gyogyszergyár Zártköruen Muködo Részvenytarsaság (HU) 2008-02-06 EP disclosed
WO-2007100351-A2 PROCESS FOR PREPARING SIMVASTATIN AND INTERMEDIATES THEREOF TEVA GYOGYSZERGYAR ZARTKORUEN MUKODO RESZVENYTARSASAG (HU) 2007-09-07 WO disclosed