SCHEMBL6336409

SCHEMBL6336409

COc1ccc(CO[C@@H]2[C@H]3OC(C)(C)O[C@H]3[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O[C@H]2SC)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SSTR4 P31391 3/20 0.32
TACR1 P25103 1/20 0.31
SSTR1 P30872 1/20 0.31
SSTR2 P30874 1/20 0.31
SSTR3 P32745 1/20 0.31
SSTR5 P35346 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL6336303 0.85 SSTR4 (0.39) SSTR4TACR1SSTR1SSTR2SSTR3
SCHEMBL10819575 0.84 MEN1 (0.40) MEN1KMT2ASSTR4TACR1SSTR1
SCHEMBL6758122 0.82 SSTR1 (0.42) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL8627578 0.80 MEN1 (0.34) MEN1KMT2A
SCHEMBL6761503 0.80 SSTR1 (0.37) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL6336847 0.79 SSTR4 (0.37) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL6335144 0.79 ALDH1A1 (0.38) CYP3A4ALDH1A1
SCHEMBL10819574 0.79 ALDH1A1 (0.38) CYP3A4ALDH1A1
SCHEMBL8015808 0.77 GJB2 (0.36) MEN1KMT2ASSTR4TACR1SSTR1
SCHEMBL6343539 0.76 SSTR4 (0.33) MEN1KMT2ASSTR4CYP3A4ALDH1A1

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
US-6953850-B1 Protecting groups for carbohydrate synthesis ALCHEMIA PTY. LTD. (AU) 2005-10-11 US disclosed