SCHEMBL14747384

SCHEMBL14747384

CC[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](CO[Si](C)(C)C(C)(C)C)OCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
BTN3A1 O00481 1/20 0.32
IDO1 P14902 1/20 0.31
AGXT P21549 1/20 0.30
BACE1 P56817 1/20 0.30
CA1 P00915 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
SCHEMBL15892776 0.94 MAPT (0.33) MAPTBTN3A1CA1
SCHEMBL19928526 0.88 MAPT (0.36) MAPTBTN3A1IDO1AGXTBACE1
SCHEMBL21727813 0.86 MAPT (0.36) MAPTBTN3A1BACE1CA1
SCHEMBL15892778 0.86 MAPT (0.37) MAPTBTN3A1IDO1BACE1CA1
SCHEMBL19928558 0.83 MAPT (0.35) MAPTBTN3A1BACE1CA1
SCHEMBL9304192 0.83 BTN3A1 (0.33) MAPTBTN3A1BACE1
SCHEMBL18591520 0.83 MAPT (0.35) MAPTBTN3A1BACE1CA1
SCHEMBL14747381 0.83 CA1 (0.41) MAPTCA1
SCHEMBL4652159 0.81 SLC1A3 (0.36) MAPTBTN3A1IDO1AGXT
SCHEMBL4652279 0.81 SLC1A3 (0.36) MAPTBTN3A1IDO1AGXT

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-8389565-B2 Antidiabetic agents; controlling carbohydrate metabolism SIMON FRASER UNIVERSITY (CA) 2013-03-05 US disclosed