SCHEMBL19928532

SCHEMBL19928532

CC(C)(C)[Si](C)(C)OC[C@@H](O)[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 0.37
CA1 P00915 3/20 0.35
BTN3A1 O00481 1/20 0.35
CYP2C19 P33261 1/20 0.33
TRPA1 O75762 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCD Q05655 1/20 0.33
HTT P42858 3/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
ADRB2 P07550 2/20 0.32
ADRB1 P08588 2/20 0.32
ADRB3 P13945 2/20 0.32

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
SCHEMBL19928558 0.91 MAPT (0.35) MAPTCA1BTN3A1CYP2C19TRPA1
SCHEMBL21727779 0.85 MAPT (0.34) MAPTCA1BTN3A1CYP2C19TRPA1
SCHEMBL19928533 0.85 MAPT (0.33) MAPTCA1BTN3A1CYP2C19
SCHEMBL19928534 0.83 MAPT (0.36) MAPTCA1BTN3A1CYP2C19KMT2A
SCHEMBL15892778 0.82 MAPT (0.37) MAPTCA1BTN3A1CYP2C19PRKCA
SCHEMBL14747381 0.81 CA1 (0.41) MAPTCA1CYP2C19HTTKMT2A
SCHEMBL19928559 0.81 MAPT (0.33) MAPTCA1BTN3A1CYP2C19KMT2A
SCHEMBL8554241 0.81 PRKCA (0.36) MAPTCA1BTN3A1CYP2C19TRPA1
SCHEMBL19928527 0.81 MAPT (0.32) MAPTCA1KMT2A
SCHEMBL7159471 0.80 SLC1A3 (0.43) 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