SCHEMBL28544831

SCHEMBL28544831

CC(N)N=Cc1ccccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
CA12 O43570 6/20 0.50
CA2 P00918 6/20 0.50
CA9 Q16790 5/20 0.50
MAPT P10636 4/20 0.50
KDM4E B2RXH2 3/20 0.50
GAA P10253 3/20 0.50
ALOX15 P16050 2/20 0.50
HPGD P15428 2/20 0.50
USP2 O75604 1/20 0.50
POLB P06746 1/20 0.50
ALOX12 P18054 1/20 0.50
RECQL P46063 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
PABPC1 P11940 1/20 0.47
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.46

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
SCHEMBL25650149 0.84 ALDH1A1 (0.54) ALDH1A1CA12CA2CA9MAPT
SCHEMBL21055888 0.84 ALDH1A1 (0.54) ALDH1A1CA12CA2CA9MAPT
SCHEMBL10336703 0.84 ALDH1A1 (0.54) ALDH1A1CA12CA2CA9MAPT
SCHEMBL2493458 0.84 ALDH1A1 (0.54) ALDH1A1CA12CA2CA9MAPT
SCHEMBL29483209 0.80 CA12 (0.50) ALDH1A1CA12CA2CA9MAPT
SCHEMBL501627 0.80 CA12 (0.50) ALDH1A1CA12CA2CA9MAPT
SCHEMBL501630 0.80 CA12 (0.50) ALDH1A1CA12CA2CA9MAPT
SCHEMBL31490053 0.80 CA12 (0.50) ALDH1A1CA12CA2CA9MAPT
SCHEMBL8940009 0.79 ALDH1A1 (0.50) ALDH1A1CA12CA2CA9MAPT
SCHEMBL11350397 0.79 ALDH1A1 (0.50) ALDH1A1CA12CA2CA9MAPT

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
CN-107709658-B Oxidation process 卡特克塞尔科技有限公司 2021-04-09 CN disclosed