SCHEMBL19976411

SCHEMBL19976411

CC(=O)OC[C@@H]1C[C@H](OCc2ccccc2)[C@H](OC(C)=O)CO1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.46
ALDH1A1 P00352 1/20 0.44
KLK7 P49862 5/20 0.41
KLK5 Q9Y337 3/20 0.41
MGLL Q99685 2/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL402695 0.87 ALDH1A1 (0.46) BCHEALDH1A1KLK7KLK5MGLL
SCHEMBL402948 0.87 ALDH1A1 (0.41) BCHEALDH1A1MGLL
SCHEMBL402786 0.83 KLK7 (0.42) BCHEALDH1A1KLK7KLK5MGLL
SCHEMBL402725 0.81 BCHE (0.46) BCHEALDH1A1KLK7KLK5
SCHEMBL18756620 0.81 ALDH1A1 (0.41) BCHEALDH1A1TSHR
SCHEMBL22194032 0.81 ALDH1A1 (0.41) BCHEALDH1A1TSHR
SCHEMBL20344000 0.81 ALDH1A1 (0.41) BCHEALDH1A1TSHR
SCHEMBL14362885 0.81 ALDH1A1 (0.39) BCHEALDH1A1KLK7KLK5MGLL
SCHEMBL19976426 0.80 TSHR (0.45) BCHEALDH1A1LMNATSHR
SCHEMBL404401 0.79 BCHE (0.49) BCHEALDH1A1KLK7KLK5

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