SCHEMBL11040633

SCHEMBL11040633

CCOc1cccc(F)c1C(C#N)O[Si](C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
ALDH1A1 P00352 7/20 0.35
KDM4E B2RXH2 3/20 0.35
PPARG P37231 1/20 0.35
STAT3 P40763 1/20 0.35
NCOA2 Q15596 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 1/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 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
SCHEMBL11040692 0.83 ALDH1A1 (0.38) ALDH1A1CYP2C19GAA
SCHEMBL11044896 0.80 ALDH1A1 (0.40) L3MBTL1ALDH1A1KDM4EPPARGSTAT3
SCHEMBL11042586 0.77 ALDH1A1 (0.49) L3MBTL1ALDH1A1KDM4ECYP2C19SMN1; SMN2
SCHEMBL29723947 0.77 ALDH1A1 (0.49) L3MBTL1ALDH1A1KDM4ECYP2C19SMN1; SMN2
SCHEMBL11147808 0.77 ALDH1A1 (0.49) L3MBTL1ALDH1A1KDM4ECYP2C19SMN1; SMN2
SCHEMBL11040594 0.76 ALOX5 (0.40) L3MBTL1ALDH1A1KDM4ETDP1HPGD
SCHEMBL19716587 0.75 CES2 (0.34) ALDH1A1
SCHEMBL3295518 0.74 ALDH1A1 (0.36) L3MBTL1ALDH1A1KDM4ETDP1HPGD
SCHEMBL13549218 0.74 L3MBTL1 (0.51) L3MBTL1ALDH1A1KDM4ESLC6A2SLC6A4
SCHEMBL13685082 0.74 HPGDS (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4448971-A Hypoglycemic 5-phenyl-substituted oxazolidine-2,4-diones PFIZER INC. (US) 1984-05-15 US disclosed
US-4407811-A Hypoglycemic 5-substituted oxazolidine-2,4-diones PFIZER INC. (US) 1983-10-04 US disclosed
US-4399296-A TRIMETHYLSILYL CYANOHYDRIN INTERMEDIATES PFIZER INC. (US) 1983-08-16 US disclosed
US-4367234-A HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1983-01-04 US disclosed