SCHEMBL8679776

SCHEMBL8679776

COc1cc(C=O)cc(C=O)c1O.COc1cc(C=O)cc(C=O)c1O

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 17/20 0.68
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
TLR2 O60603 1/20 0.55
TLR1 Q15399 1/20 0.55
TLR6 Q9Y2C9 1/20 0.55
TRIM24 O15164 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
ALDH5A1 P51649 1/20 0.55
ABAT P80404 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
TRIM33 Q9UPN9 1/20 0.55

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
SCHEMBL326755 1.00 ERN1 (0.68) ERN1LMNAMAPTTLR2TLR1
SCHEMBL30393705 1.00 ERN1 (0.68) ERN1LMNAMAPTTLR2TLR1
SCHEMBL20680483 0.89 ERN1 (0.76) ERN1TLR2TLR1TLR6
SCHEMBL8679779 0.89 ERN1 (0.59) ERN1LMNAMAPTTRIM24ALDH1A1
Syringaldehyde SCHEMBL2110596 0.88 ALDH1A1 (0.62) ERN1LMNAMAPTTRIM24ALDH1A1
Syringaldehyde SCHEMBL150376 0.88 ALDH1A1 (0.62) ERN1LMNAMAPTTRIM24ALDH1A1
Syringaldehyde SCHEMBL30119623 0.88 ALDH1A1 (0.62) ERN1LMNAMAPTTRIM24ALDH1A1
SCHEMBL22917545 0.87 ERN1 (0.62) ERN1LMNAMAPTTLR2TLR1
SCHEMBL4072417 0.87 ERN1 (0.53) ERN1LMNAMAPTTLR2TLR1
Syringaldehyde SCHEMBL28642631 0.86 ALDH1A1 (0.60) ERN1LMNAMAPTTRIM24ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5783737-A Process for the preparation of 3-carboxy-4-hydroxybenzaldehides and derivatives thereof RHONE-POULENC CHIMIE (FR) 1998-07-21 US claimed
US-5783737-A Process for the preparation of 3-carboxy-4-hydroxybenzaldehides and derivatives thereof RHONE-POULENC CHIMIE (FR) 1998-07-21 US disclosed