SCHEMBL9800003

SCHEMBL9800003

CC(=O)N[C@@H]1C[C@H](OCc2ccccc2)[C@H]2CO[C@@H]1O2

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
BCHE P06276 3/20 0.42
KLK7 P49862 6/20 0.42
KLK5 Q9Y337 6/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ACACB O00763 1/20 0.37
OGA O60502 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL9799973 0.86 BCHE (0.40) L3MBTL1BCHEKLK7KLK5
SCHEMBL9800220 0.81 BCHE (0.45) L3MBTL1BCHEKLK7KLK5
SCHEMBL9800065 0.79 BCHE (0.40) BCHEKLK7KLK5
SCHEMBL9800088 0.79 BCHE (0.40) BCHEKLK7KLK5
SCHEMBL402975 0.78 KLK7 (0.44) L3MBTL1BCHEKLK7KLK5SMN1; SMN2
SCHEMBL9800002 0.78 PDE4D (0.48) BCHEKLK7KLK5
SCHEMBL9800178 0.78 BCHE (0.38) BCHEKLK7KLK5
SCHEMBL10516403 0.78 PDE4D (0.48) BCHEKLK7KLK5
SCHEMBL9799911 0.78 PDE4D (0.48) BCHEKLK7KLK5
SCHEMBL9800035 0.78 PDE4D (0.48) BCHEKLK7KLK5

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-5047518-A 1,6-anhydro-β-hexopyranose derivatives and their use as herbicides and plant growth regulators HER MAJESTY THE QUEEN IN RIGHT OF NEW ZEALAND (NZ) 1991-09-10 US disclosed