SCHEMBL19928558

SCHEMBL19928558

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
BTN3A1 O00481 1/20 0.33
CA1 P00915 3/20 0.33
CYP2C19 P33261 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCD Q05655 1/20 0.32
TRPA1 O75762 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 3/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CASR P41180 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 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
SCHEMBL15892778 0.91 MAPT (0.37) MAPTBTN3A1CA1CYP2C19PRKCA
SCHEMBL19928532 0.91 MAPT (0.37) MAPTBTN3A1CA1CYP2C19PRKCA
SCHEMBL18591520 0.88 MAPT (0.35) MAPTBTN3A1CA1CYP2C19PRKCA
SCHEMBL19928559 0.87 MAPT (0.33) MAPTBTN3A1CA1CYP2C19KMT2A
SCHEMBL19928527 0.86 MAPT (0.32) MAPTCA1KMT2A
SCHEMBL19928526 0.86 MAPT (0.36) MAPTBTN3A1CA1CYP2C19KMT2A
SCHEMBL19928533 0.86 MAPT (0.33) MAPTBTN3A1CA1CYP2C19
SCHEMBL14747381 0.86 CA1 (0.41) MAPTCA1CYP2C19KMT2AHTT
SCHEMBL21727813 0.84 MAPT (0.36) MAPTBTN3A1CA1CYP2C19PRKCA
SCHEMBL17159620 0.83 MAPT (0.39) MAPTCA1CYP2C19TRPA1KMT2A

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-9907854-B2 Crosslinking reagents, macromolecules, therapeutic bioconjugates, and synthetic methods thereof CellMosaic, Inc. (US) 2018-03-06 US disclosed