SCHEMBL14747381

SCHEMBL14747381

CC(C)(C)[Si](C)(C)OC[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](O)COCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.41
KMT2A Q03164 1/20 0.41
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CASR P41180 1/20 0.37
TACR1 P25103 2/20 0.37
CYP2C19 P33261 2/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 1/20 0.35
PPARA Q07869 1/20 0.34
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
AGER Q15109 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
SCHEMBL19928534 0.87 MAPT (0.36) CA1KMT2ACA2CA7CA9
SCHEMBL19928526 0.86 MAPT (0.36) CA1KMT2ACA2CA7CA9
SCHEMBL5962118 0.86 KMT2A (0.39) CA1KMT2ACA2CA7CA9
SCHEMBL19928558 0.86 MAPT (0.35) CA1KMT2ACA2CA7CA9
SCHEMBL19928559 0.85 MAPT (0.33) CA1KMT2ACYP2C19MAPT
SCHEMBL21727779 0.85 MAPT (0.34) CA1KMT2ACA2CA7CA9
SCHEMBL19928527 0.84 MAPT (0.32) CA1KMT2AMAPT
SCHEMBL15892778 0.84 MAPT (0.37) CA1KMT2ACA2CA7CA9
SCHEMBL18591520 0.83 MAPT (0.35) CA1CA2CA7CA9CYP2C19
SCHEMBL14747384 0.83 MAPT (0.35) CA1MAPT

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