SCHEMBL19928544

SCHEMBL19928544

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
TSHR P16473 1/20 0.36
PRKCA P17252 1/20 0.35
RCE1 Q9Y256 1/20 0.35
IDO1 P14902 1/20 0.34

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
SCHEMBL29752730 0.95 MAPT (0.39) MAPTSLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL7159471 0.91 SLC1A3 (0.43) MAPTSLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL14021052 0.91 SLC1A3 (0.43) MAPTSLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL18286530 0.91 SLC1A3 (0.43) MAPTSLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL9439481 0.91 SLC1A3 (0.43) MAPTSLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL24587232 0.91 SLC1A3 (0.43) MAPTSLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL15879320 0.91 SLC1A3 (0.43) MAPTSLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL10438665 0.90 MAPT (0.37) MAPTSLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL17170448 0.89 TRPA1 (0.39) MAPTSLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL15721071 0.88 CA1 (0.46) MAPTSLC1A1KMT2ACA1CA2

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