SCHEMBL7794161

SCHEMBL7794161

CCOC(=O)c1ccc(N(O)C(C)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.58
CA2 P00918 3/20 0.58
CA12 O43570 2/20 0.58
CA7 P43166 2/20 0.58
CA9 Q16790 2/20 0.58
CA14 Q9ULX7 2/20 0.58
ESR1 P03372 1/20 0.58
ESR2 Q92731 1/20 0.58
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAOA P21397 1/20 0.56
RAB9A P51151 4/20 0.50
HPGD P15428 4/20 0.50
NPC1 O15118 3/20 0.50
MAPT P10636 3/20 0.50
HTT P42858 2/20 0.50
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49

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
SCHEMBL13934090 0.84 CA1 (0.59) CA1CA2CA12CA7CA9
SCHEMBL4286426 0.83 CA12 (0.58) CA1CA2CA12CA7CA9
SCHEMBL20749751 0.82 CA1 (0.61) CA1CA2CA12CA7CA9
SCHEMBL11057930 0.81 CA1 (0.56) CA1CA2CA12CA7CA9
SCHEMBL87450 0.81 CA1 (0.83) CA1CA2CA12CA7CA9
SCHEMBL10067059 0.81 CA1 (0.51) CA1CA2CA12CA7CA9
SCHEMBL15425 0.80 ALDH1A1 (0.70) CA1CA2CA12CA7CA9
SCHEMBL17671175 0.80 CA1 (0.53) CA1CA2CA12CA7CA9
SCHEMBL5190217 0.80 ALDH1A1 (0.70) CA1CA2CA12CA7CA9
Acetic Acid SCHEMBL26103642 0.79 ALDH1A1 (0.65) CA1CA2CA12CA7CA9

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-20010018956-A1 Multi-component system for modifying, degrading or bleaching lignin, lignin-containing materials or similar substances and processes for its use CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH 2001-09-06 US disclosed
US-6258209-B1 DELIGNIFICATION; POLLUTION CONTROL Consortium für elektrochemische Industrie GmbH (DE) 2001-07-10 US disclosed