SCHEMBL9015293

SCHEMBL9015293

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ADH1B P00325 1/20 0.34
▸ ADH1C P00326 1/20 0.34
▸ ADH1A P07327 1/20 0.34
▸ ADH4 P08319 1/20 0.34
▸ ADH7 P40394 1/20 0.34
▸ TRPA1 O75762 1/20 0.33
▸ DDAH1 O94760 1/20 0.33
▸ GAPDH P04406 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMPD1 P17405 3/20 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
SCHEMBL9116132 0.81 ADH1B (0.40) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL5285758 0.79 CA1 (0.31) —
SCHEMBL8604355 0.78 CYP1A2 (0.41) —
SCHEMBL7595079 0.77 CA2 (0.36) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL15973931 0.77 — —
SCHEMBL4936168 0.76 ADH1B (0.36) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL570529 0.76 TSHR (0.33) TSHRSMN1; SMN2
SCHEMBL25211388 0.75 ADH1B (0.42) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL28600523 0.74 ADH1B (0.47) TSHRSMN1; SMN2ADH1BADH1CADH1A
SCHEMBL11251404 0.72 TRPA1 (0.44) TSHRSMN1; SMN2ADH1BADH1CADH1A

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
EP-0746551-A1 OPTICALLY PURE 4-ARYL-2-HYDROXYTETRONIC ACIDS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1996-12-11 — — EP disclosed
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