SCHEMBL8679779

SCHEMBL8679779

COc1c(O)cc(C=O)cc1C=O.COc1cc(C=O)cc(C=O)c1O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 15/20 0.59
ALDH1A1 P00352 2/20 0.49
AOX1 Q06278 1/20 0.49
TRIM24 O15164 1/20 0.49
HPGD P15428 1/20 0.49
ALDH5A1 P51649 1/20 0.49
ABAT P80404 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TRIM33 Q9UPN9 1/20 0.49
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL30393705 0.89 ERN1 (0.68) ERN1ALDH1A1TRIM24HPGDALDH5A1
SCHEMBL326755 0.89 ERN1 (0.68) ERN1ALDH1A1TRIM24HPGDALDH5A1
SCHEMBL8679776 0.89 ERN1 (0.68) ERN1ALDH1A1TRIM24HPGDALDH5A1
SCHEMBL3637463 0.89 CA1 (0.55) ERN1ALDH1A1AOX1TRIM24HPGD
SCHEMBL29361496 0.82 ALDH1A1 (0.59) ERN1ALDH1A1AOX1TRIM24HPGD
SCHEMBL1050289 0.82 ALDH1A1 (0.59) ERN1ALDH1A1AOX1TRIM24HPGD
SCHEMBL31574220 0.82 ALDH1A1 (0.63) ERN1ALDH1A1AOX1TRIM24HPGD
SCHEMBL1001955 0.82 ALDH1A1 (0.63) ERN1ALDH1A1AOX1TRIM24HPGD
SCHEMBL26100046 0.80 ALDH1A1 (0.52) ERN1ALDH1A1AOX1TRIM24HPGD
SCHEMBL20680483 0.79 ERN1 (0.76) ERN1

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