SCHEMBL7214869

SCHEMBL7214869

CC([C]=O)Oc1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 1/20 0.54
GRM5 P41594 1/20 0.54
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC6A4 P31645 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
BCHE P06276 1/20 0.39

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
SCHEMBL9124645 0.82 GRM5 (0.54) OGG1GRM5KMT2AL3MBTL1ALDH1A1
SCHEMBL99367 0.81 GRM5 (0.35) OGG1GRM5MAPT
SCHEMBL10316839 0.81 OGG1 (0.53) OGG1GRM5KMT2AL3MBTL1ALDH1A1
SCHEMBL105734 0.79 OGG1 (0.57) OGG1GRM5KMT2AL3MBTL1ALDH1A1
SCHEMBL96594 0.79 HPGD (0.49) KMT2AL3MBTL1MEN1SLC6A4HPGD
SCHEMBL10451483 0.77 OGG1 (0.56) OGG1GRM5KMT2AL3MBTL1ALDH1A1
SCHEMBL97275 0.77 POLB (0.43) KMT2AL3MBTL1ALDH1A1MEN1KDM4E
Chloromethane SCHEMBL27541396 0.77 OGG1 (0.56) OGG1GRM5KMT2AL3MBTL1ALDH1A1
SCHEMBL9353539 0.77 MTNR1A (0.42) KMT2AALDH1A1MEN1KDM4EHPGD
SCHEMBL43675 0.77 MTNR1A (0.42) KMT2AALDH1A1MEN1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6617426-B1 Peptide analogs of given formula; useful in treating neurodegenerative, autoimmune, cognitive disorders, stroke and traumatic injury MERCK SHARP & DOHME CORP. 2003-09-09 US claimed