SCHEMBL19928526

SCHEMBL19928526

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
CA1 P00915 4/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
BTN3A1 O00481 1/20 0.32
IDO1 P14902 1/20 0.32
CA2 P00918 2/20 0.31
CA7 P43166 2/20 0.31
CA9 Q16790 2/20 0.31
AGXT P21549 1/20 0.31
TACR1 P25103 2/20 0.31
BACE1 P56817 1/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 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 0.95 MAPT (0.33) MAPTCA1TSHRCYP2C19BTN3A1
SCHEMBL18591520 0.94 MAPT (0.35) MAPTCA1CYP2C19BTN3A1CA2
SCHEMBL15892778 0.90 MAPT (0.37) MAPTCA1TSHRCYP2C19BTN3A1
SCHEMBL14747384 0.88 MAPT (0.35) MAPTCA1BTN3A1IDO1AGXT
SCHEMBL14747381 0.86 CA1 (0.41) MAPTCA1CYP2C19CA2CA7
SCHEMBL19928558 0.86 MAPT (0.35) MAPTCA1TSHRCYP2C19BTN3A1
SCHEMBL19928559 0.86 MAPT (0.33) MAPTCA1CYP2C19BTN3A1KMT2A
SCHEMBL19928534 0.86 MAPT (0.36) MAPTCA1CYP2C19BTN3A1CA2
SCHEMBL19928527 0.85 MAPT (0.32) MAPTCA1KMT2A
SCHEMBL21727813 0.85 MAPT (0.36) MAPTCA1CYP2C19BTN3A1BACE1

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