SCHEMBL11041825

SCHEMBL11041825

COc1ccc(C)cc1C(C#N)O[Si](C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
ACHE P22303 1/20 0.42
ALDH1A1 P00352 5/20 0.39
CYP3A4 P08684 1/20 0.39
AR P10275 5/20 0.36
HTT P42858 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ALOX5 P09917 1/20 0.33
KMT2A Q03164 1/20 0.33
DHFR P00374 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
SCHEMBL11039942 0.85 KDM4E (0.36) GAAALDH1A1HTTKDM4ELMNA
SCHEMBL11039085 0.84 HTR2A (0.34) GAAALDH1A1HTTKDM4ELMNA
SCHEMBL11040699 0.84 ALDH1A1 (0.38) ALDH1A1KDM4ELMNAMAPTKMT2A
SCHEMBL11041678 0.83 GAA (0.35) GAAALDH1A1KMT2A
SCHEMBL11042257 0.81 ALDH1A1 (0.42) ACHEALDH1A1HTTKDM4EMAPT
SCHEMBL17321032 0.80 GAA (0.31) GAA
SCHEMBL11041179 0.78 TDP1 (0.47) ALDH1A1CYP3A4HTTLMNAMAPT
SCHEMBL30536243 0.76 ALDH1A1 (0.39) GAAACHEALDH1A1CYP3A4HTT
SCHEMBL11040878 0.74 ACHE (0.30) ACHE
SCHEMBL2610140 0.72 ESR1 (0.42) GAAACHEALDH1A1LMNAMAPT

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