SCHEMBL3958892

SCHEMBL3958892

CC(C)[Si](OCc1cc(C(F)(F)F)ccc1C=O)(C(C)C)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
MAPT P10636 1/20 0.38
IDO1 P14902 2/20 0.35
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
S1PR1 P21453 5/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
CYP2C19 P33261 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MCHR1 Q99705 1/20 0.31
BACE1 P56817 1/20 0.31
ALOX5 P09917 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLQ O75417 1/20 0.31

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
SCHEMBL31183707 0.80 POLB (0.43) POLBMAPTIDO1LMNASMN1; SMN2
SCHEMBL1600326 0.79 IDO1 (0.38) IDO1HRH4CYP3A4CYP2D6
SCHEMBL3952559 0.76 AR (0.39) IDO1CYP2D6
SCHEMBL3954839 0.75 LMNA (0.39) POLBLMNASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL957709 0.72 PPARA (0.41) POLBMAPTIDO1LMNASMN1; SMN2
SCHEMBL9952943 0.70 POLB (0.39) POLBMAPTIDO1LMNASMN1; SMN2
SCHEMBL1600943 0.70 MEN1 (0.40) IDO1
SCHEMBL1600954 0.69 SLC6A4 (0.34) IDO1
SCHEMBL3951900 0.69 PDE2A (0.34) IDO1
SCHEMBL3683402 0.69 POLB (0.38) POLBMAPTIDO1LMNASMN1; SMN2

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-2009027785-A2 1, 3-OXAZOLE DERIVATIVES AS CETP INHIBITORS PFIZER PRODUCTS INC. (US) 2009-03-05 WO disclosed