SCHEMBL8313384

SCHEMBL8313384

COc1ccc(C=O)c(N=O)c1O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 14/20 0.54
TLR2 O60603 1/20 0.54
TLR1 Q15399 1/20 0.54
TLR6 Q9Y2C9 1/20 0.54
ALDH1A1 P00352 2/20 0.43
TRIM24 O15164 1/20 0.42
TYR P14679 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
AOX1 Q06278 1/20 0.42
CA12 O43570 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL1535289 0.81 ALDH1A1 (0.44) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL1527154 0.80 ERN1 (0.69) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL13605931 0.77 ERN1 (0.59) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL8043039 0.77 ERN1 (0.59) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL5074569 0.76 TUBB1 (0.54)
SCHEMBL5074564 0.76 TUBB1 (0.54)
SCHEMBL28901718 0.76 ERN1 (0.54) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL93023 0.76 CA1 (0.54) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL6861276 0.75 ERN1 (0.58) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL195007 0.75 ERN1 (0.58) ERN1TLR2TLR1TLR6ALDH1A1

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
WO-2004078261-A1 CANNABINOID RECEPTOR INVERSE AGONISTS AND NEUTRAL ANTAGONISTS AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE DISORDERS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2004-09-16 WO disclosed