SCHEMBL4757716

SCHEMBL4757716

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 4/20 0.49
TDP1 Q9NUW8 2/20 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
TRIM33 Q9UPN9 1/20 0.49
TSHR P16473 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2B6 P20813 1/20 0.47
ERN1 O75460 7/20 0.47
MAPK1 P28482 1/20 0.47
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
AOX1 Q06278 1/20 0.45

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
SCHEMBL1981806 0.85 PKM (0.51) KMT2AALDH1A1TDP1TRIM24HPGD
SCHEMBL29954196 0.85 PKM (0.51) KMT2AALDH1A1TDP1TRIM24HPGD
SCHEMBL4756891 0.83 ALDH1A1 (0.49) KMT2AALDH1A1TDP1TRIM24HPGD
SCHEMBL9687007 0.83 PKM (0.50) KMT2AALDH1A1TDP1TRIM24HPGD
SCHEMBL9686354 0.83 PKM (0.50) KMT2AALDH1A1TDP1TRIM24HPGD
Syringaldehyde SCHEMBL8720767 0.82 ALDH1A1 (0.58) KMT2AALDH1A1TDP1TRIM24HPGD
SCHEMBL9687000 0.82 CYP1A2 (0.50) KMT2AALDH1A1TDP1TRIM24HPGD
Potassium Ion SCHEMBL9688312 0.82 ALDH1A1 (0.47) KMT2AALDH1A1TDP1TRIM24HPGD
SCHEMBL9686330 0.82 ALDH1A1 (0.47) KMT2AALDH1A1TDP1TRIM24HPGD
SCHEMBL9686348 0.82 ALDH1A1 (0.47) KMT2AALDH1A1TDP1TRIM24HPGD

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
EP-1879661-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-01-23 EP claimed
WO-2006119821-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLCHAFT AUF AKTIEN (DE) 2006-11-16 WO claimed