SCHEMBL8408677

SCHEMBL8408677

COC1OC(N(O)C(C)C)c2ccccc21

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.30
PAX8 Q06710 1/20 0.30

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
SCHEMBL21701193 0.78 GPR3 (0.36) HSP90AA1PAX8
SCHEMBL30861792 0.74 HSP90AA1 (0.37) HSP90AA1PAX8
SCHEMBL4900253 0.74 HSP90AA1 (0.37) HSP90AA1PAX8
SCHEMBL10262549 0.67 HSP90AA1 (0.33) HSP90AA1PAX8
SCHEMBL7400483 0.61 LGALS8 (0.36) HSP90AA1PAX8
SCHEMBL7400440 0.61 ATM (0.43) HSP90AA1PAX8
SCHEMBL29309181 0.61 ALDH1A1 (0.41)
SCHEMBL21701103 0.60 GPR3 (0.33)
SCHEMBL14364127 0.59 HTT (0.35)
SCHEMBL20862007 0.57 EPHX1 (0.30)

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-5962469-A PREVENTION OF OXIDATION TISSUE DAMAGE BY FREE RADICALS HOECHST MARION ROUSSEL INC. (US) 1999-10-05 US disclosed