SCHEMBL14413829

SCHEMBL14413829

CCCCOC[C@H]1OC(O)[C@@H](OCCCC)[C@H]1OCCCC

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GJB2 P29033 4/20 0.45
▸ GBA1 P04062 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SMPD1 P17405 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ SSTR1 P30872 1/20 0.34
▸ SSTR2 P30874 1/20 0.34
▸ SSTR4 P31391 1/20 0.34
▸ SSTR3 P32745 1/20 0.34
▸ SSTR5 P35346 1/20 0.34
▸ TNF P01375 1/20 0.34
▸ SLC2A1 P11166 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
SCHEMBL14605407 1.00 GJB2 (0.45) GJB2GBA1SMN1; SMN2SMPD1ALDH1A1
SCHEMBL15505953 1.00 GJB2 (0.45) GJB2GBA1SMN1; SMN2SMPD1ALDH1A1
SCHEMBL13074853 1.00 GJB2 (0.45) GJB2GBA1SMN1; SMN2SMPD1ALDH1A1
SCHEMBL15871863 1.00 GJB2 (0.45) GJB2GBA1SMN1; SMN2SMPD1ALDH1A1
SCHEMBL280129 1.00 GJB2 (0.45) GJB2GBA1SMN1; SMN2SMPD1ALDH1A1
SCHEMBL15505946 1.00 GJB2 (0.45) GJB2GBA1SMN1; SMN2SMPD1ALDH1A1
SCHEMBL17736037 1.00 GJB2 (0.45) GJB2GBA1SMN1; SMN2SMPD1ALDH1A1
SCHEMBL16731206 1.00 GJB2 (0.45) GJB2GBA1SMN1; SMN2SMPD1ALDH1A1
SCHEMBL14413551 1.00 GJB2 (0.45) GJB2GBA1SMN1; SMN2SMPD1ALDH1A1
SCHEMBL13222913 1.00 GJB2 (0.45) GJB2GBA1SMN1; SMN2SMPD1ALDH1A1

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
US-8389565-B2 Antidiabetic agents; controlling carbohydrate metabolism SIMON FRASER UNIVERSITY (CA) 2013-03-05 — — US disclosed
WO-2007098597-A1 GLYCOSIDASE INHIBITORS AND METHODS OF SYNTHESIZING SAME SIMON FRASER UNIVERSITY (CA) 2007-09-07 — — WO disclosed
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