SCHEMBL9799989

SCHEMBL9799989

C=CCO[C@@H]1C[C@H](OCc2ccccc2)[C@H]2CO[C@@H]1O2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.35
CTSV O60911 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
CTSC P53634 1/20 0.34
CTSF Q9UBX1 1/20 0.34
PDE4D Q08499 1/20 0.34
SLC6A2 P23975 1/20 0.34
ALDH1A1 P00352 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
ALOX15 P16050 1/20 0.32

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
SCHEMBL9800088 0.90 BCHE (0.40) BCHECTSVCTSLCTSBCTSS
SCHEMBL9800065 0.90 BCHE (0.40) BCHECTSVCTSLCTSBCTSS
SCHEMBL9800167 0.84 BCHE (0.37) BCHECTSVCTSLCTSBCTSS
SCHEMBL10516034 0.82 CYP2C19 (0.43) BCHECTSVCTSLCTSBCTSS
SCHEMBL9800173 0.82 CYP2C19 (0.43) BCHECTSVCTSLCTSBCTSS
SCHEMBL10516307 0.82 CYP2C19 (0.43) BCHECTSVCTSLCTSBCTSS
SCHEMBL9800074 0.82 CYP2C19 (0.43) BCHECTSVCTSLCTSBCTSS
SCHEMBL10515236 0.82 CYP2C19 (0.43) BCHECTSVCTSLCTSBCTSS
SCHEMBL9800203 0.81 PDE4D (0.37) BCHECTSVCTSLCTSBCTSS
SCHEMBL9800038 0.81 BCHE (0.35) BCHECTSVCTSLCTSBCTSS

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