SCHEMBL19928534

SCHEMBL19928534

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.34
CA1 P00915 3/20 0.33
CYP2C19 P33261 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CASR P41180 1/20 0.31
TACR1 P25103 1/20 0.30
BTN3A1 O00481 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
SCHEMBL19928559 0.93 MAPT (0.33) MAPTKMT2ACA1CYP2C19BTN3A1
SCHEMBL19928533 0.92 MAPT (0.33) MAPTCA1CYP2C19BTN3A1
SCHEMBL19928527 0.90 MAPT (0.32) MAPTKMT2ACA1
SCHEMBL14747381 0.87 CA1 (0.41) MAPTKMT2ACA1CYP2C19CA2
SCHEMBL19928526 0.86 MAPT (0.36) MAPTKMT2ACA1CYP2C19CA2
SCHEMBL19928535 0.84
SCHEMBL19928532 0.83 MAPT (0.37) MAPTKMT2ACA1CYP2C19CA2
SCHEMBL19928558 0.83 MAPT (0.35) MAPTKMT2ACA1CYP2C19CA2
SCHEMBL18591520 0.83 MAPT (0.35) MAPTCA1CYP2C19CA2CA7
SCHEMBL21727779 0.82 MAPT (0.34) MAPTKMT2ACA1CYP2C19CA2

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