SCHEMBL11201046

SCHEMBL11201046

CCCCC[C@H](/C=C/I)O[Si](C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TRPA1 O75762 1/20 0.31
▸ DDAH1 O94760 1/20 0.31
▸ GAPDH P04406 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ OPRM1 P35372 1/20 0.30
▸ ZDHHC7 Q9NXF8 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
SCHEMBL11198786 1.00 CA1 (0.33) CA1MEN1KMT2ATRPA1DDAH1
SCHEMBL11231960 1.00 CA1 (0.33) CA1MEN1KMT2ATRPA1DDAH1
SCHEMBL5285758 0.84 CA1 (0.31) CA1MEN1KMT2A
SCHEMBL2493479 0.84 CA1 (0.32) CA1MEN1KMT2ATRPA1DDAH1
SCHEMBL968055 0.83 CA2 (0.32) CA1MEN1KMT2A
SCHEMBL8838682 0.83 CA2 (0.32) CA1MEN1KMT2A
SCHEMBL4975291 0.83 CA2 (0.32) CA1MEN1KMT2A
SCHEMBL968053 0.83 CA2 (0.32) CA1MEN1KMT2A
SCHEMBL9547867 0.83 CA2 (0.32) CA1MEN1KMT2A
SCHEMBL11491429 0.83 CA2 (0.32) CA1MEN1KMT2A

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-0073397-A1 Enol acylate analogs of E1 and E2 prostaglandins MILES LABORATORIES, INC. (US) 1983-03-09 — — EP disclosed
US-4363817-A BRONCHODILATORS, GASTRIC ANTISECRETORY AGENTS AND CYTO-PROTECTIVE AGENTS MILES LABORATORIES, INC. (US) 1982-12-14 — — US disclosed
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