SCHEMBL1491964

SCHEMBL1491964

O=Cc1cc[nH]c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
ERN1 O75460 3/20 0.35
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
ENPP2 Q13822 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KEAP1 Q14145 1/20 0.33
NAPRT Q6XQN6 1/20 0.32
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
UNG P13051 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL14632341 0.81 KDM4E (0.32) ALDH1A1KDM4EHPGDENPP2HSD17B10
SCHEMBL27077695 0.76 ALDH1A1 (0.43) ALDH1A1ERN1KDM4EGAA
SCHEMBL5173312 0.75
SCHEMBL10810993 0.72 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDLMNAKMT2A
SCHEMBL69690 0.72 KEAP1 (0.47) ALDH1A1KDM4EHPGDENPP2HSD17B10
SCHEMBL257684 0.70
SCHEMBL4860925 0.69 KDM5A (0.43) ALDH1A1KDM4EHPGDENPP2HSD17B10
SCHEMBL4730848 0.68
SCHEMBL2491253 0.68
SCHEMBL31666384 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086395-A1 NOVEL MICROORGANISM AND ITS USE IN LIGNOCELLULOSE DETOXIFICATION SHELL OIL COMPANY 2011-04-14 US disclosed
EP-2308959-A1 Novel microorganism and its use in lignocellulose detoxifixcation Shell Internationale Research Maatschappij B.V. (NL) 2011-04-13 EP disclosed
WO-2011026906-A2 NOVEL MICROORGANISM AND ITS USE IN LIGNOCELLULOSE DETOXIFICATION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2011-03-10 WO disclosed