SCHEMBL8464433

SCHEMBL8464433

CCC(C)Oc1cc(C=O)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
HPGD P15428 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
TRIM24 O15164 1/20 0.58
ALDH5A1 P51649 1/20 0.58
ABAT P80404 1/20 0.58
TRIM33 Q9UPN9 1/20 0.58
HDAC1 Q13547 3/20 0.48
HDAC2 Q92769 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
AOX1 Q06278 1/20 0.46
TSHR P16473 3/20 0.46
KDM4E B2RXH2 2/20 0.46
PTGS2 P35354 2/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
XDH P47989 1/20 0.42
TOP2A P11388 2/20 0.41
APP P05067 2/20 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
SCHEMBL2393473 0.84 ALDH1A1 (0.64) ALDH1A1HPGDTDP1TRIM24ALDH5A1
SCHEMBL2393481 0.84 ALDH1A1 (0.64) ALDH1A1HPGDTDP1TRIM24ALDH5A1
SCHEMBL2555670 0.83 ALDH1A1 (0.66) ALDH1A1HPGDTDP1TRIM24ALDH5A1
SCHEMBL28283163 0.81 ALDH1A1 (0.64) ALDH1A1HPGDTDP1TRIM24ALDH5A1
SCHEMBL30262330 0.81 ALDH1A1 (0.64) ALDH1A1HPGDTDP1TRIM24ALDH5A1
SCHEMBL10421767 0.80 ALDH1A1 (0.60) ALDH1A1HPGDTDP1TRIM24ALDH5A1
SCHEMBL18519814 0.79 ALDH1A1 (0.43) ALDH1A1HPGDTDP1TRIM24ALDH5A1
SCHEMBL10422981 0.79 ALDH1A1 (0.55) ALDH1A1HPGDTDP1TRIM24ALDH5A1
SCHEMBL4683185 0.78 ALDH1A1 (0.44) ALDH1A1HPGDTDP1TRIM24ALDH5A1
SCHEMBL27655394 0.78 ALDH1A1 (0.44) ALDH1A1HPGDTDP1TRIM24ALDH5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709361-B1 Process for the preparation of isovanilline RHODIA CHIMIE SA (FR) 1999-02-03 EP claimed
US-5786516-A Process for the preparation of isovanillin RHONE-POULENC CHIMIE (FR) 1998-07-28 US claimed
US-5648552-A Process for the preparation of isovanillin RHONE-POULENC CHIMIE (FR) 1997-07-15 US claimed
EP-0709361-A1 Process for the preparation of isovanilline RHONE-POULENC CHIMIE (FR) 1996-05-01 EP claimed
EP-0709361-B1 Process for the preparation of isovanilline RHODIA CHIMIE SA (FR) 1999-02-03 EP disclosed
US-5786516-A Process for the preparation of isovanillin RHONE-POULENC CHIMIE (FR) 1998-07-28 US disclosed
US-5648552-A Process for the preparation of isovanillin RHONE-POULENC CHIMIE (FR) 1997-07-15 US disclosed
EP-0709361-A1 Process for the preparation of isovanilline RHONE-POULENC CHIMIE (FR) 1996-05-01 EP disclosed