SCHEMBL19976417

SCHEMBL19976417

CC(=O)OC[C@H]1C[C@H](OC(C)=O)[C@H](O[C@H]2O[C@H](COC(C)=O)[C@@H](OCc3ccccc3)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)O1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
CYP2D6 P10635 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.44
PRKCA P17252 1/20 0.44
AKT1 P31749 1/20 0.44
PTK2 Q05397 1/20 0.44
POLB P06746 1/20 0.43
PAX8 Q06710 1/20 0.42
CA1 P00915 6/20 0.42
CA2 P00918 6/20 0.42
CA9 Q16790 6/20 0.42
CA12 O43570 5/20 0.42

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
SCHEMBL19976412 0.96 LMNA (0.52) LMNACYP2D6ALDH1A1MAPK1TSHR
SCHEMBL17502007 0.88 LMNA (0.58) LMNACYP2D6ALDH1A1MAPK1TSHR
SCHEMBL17502010 0.88 LMNA (0.58) LMNACYP2D6ALDH1A1MAPK1TSHR
SCHEMBL17501989 0.87 LMNA (0.60) LMNACYP2D6ALDH1A1MAPK1TSHR
SCHEMBL17501955 0.86 LMNA (0.58) LMNACYP2D6ALDH1A1MAPK1TSHR
SCHEMBL17501962 0.86 LMNA (0.58) LMNACYP2D6ALDH1A1MAPK1TSHR
SCHEMBL17501958 0.86 LMNA (0.58) LMNACYP2D6ALDH1A1MAPK1TSHR
SCHEMBL17501966 0.86 LMNA (0.58) LMNACYP2D6ALDH1A1MAPK1TSHR
SCHEMBL29709612 0.86 LMNA (0.58) LMNACYP2D6ALDH1A1MAPK1TSHR
SCHEMBL17502081 0.85 LMNA (0.59) LMNACYP2D6ALDH1A1MAPK1TSHR

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-9919055-B2 Sugar-linker-drug conjugates ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-03-20 US disclosed