SCHEMBL9800178

SCHEMBL9800178

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.38
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
CTSC P53634 1/20 0.38
CTSF Q9UBX1 1/20 0.38
PDE4D Q08499 1/20 0.38
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
KLK7 P49862 3/20 0.36
KLK5 Q9Y337 2/20 0.36
CYP1A2 P05177 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
SCHEMBL9800065 0.87 BCHE (0.40) BCHEMAPTCYP2C19CTSVCTSL
SCHEMBL9800088 0.87 BCHE (0.40) BCHEMAPTCYP2C19CTSVCTSL
SCHEMBL10516034 0.85 CYP2C19 (0.43) BCHEMAPTCYP2C19CTSVCTSL
SCHEMBL9800173 0.85 CYP2C19 (0.43) BCHEMAPTCYP2C19CTSVCTSL
SCHEMBL9800074 0.85 CYP2C19 (0.43) BCHEMAPTCYP2C19CTSVCTSL
SCHEMBL9800167 0.84 BCHE (0.37) BCHEMAPTCYP2C19CTSVCTSL
SCHEMBL9800035 0.83 PDE4D (0.48) BCHECTSVCTSLCTSBCTSS
SCHEMBL9799911 0.83 PDE4D (0.48) BCHECTSVCTSLCTSBCTSS
SCHEMBL9800002 0.83 PDE4D (0.48) BCHECTSVCTSLCTSBCTSS
SCHEMBL9800047 0.83 BCHE (0.38) BCHEMAPTCYP2C19CTSVCTSL

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