SCHEMBL27562004

SCHEMBL27562004

CCOC(=O)c1c(C(=O)O)c(C(=O)O)c(C(=O)OC(=O)c2c(C(=O)O)c(C(=O)O)c(C(=O)O)c(C(=O)O)c2C(=O)O)c(C(=O)OC(=O)c2c(C(=O)O)c(C(=O)O)c(C(=O)O)c(C(=O)O)c2C(=O)O)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
USP2 O75604 1/20 0.49
HPGD P15428 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
GAA P10253 4/20 0.48
MAPT P10636 4/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
PDE4D Q08499 1/20 0.46
FHIT P49789 1/20 0.44
KDM4E B2RXH2 3/20 0.43
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL27702993 1.00 ALDH1A1 (0.50) ALDH1A1USP2HPGDSMN1; SMN2GAA
SCHEMBL27534697 1.00 ALDH1A1 (0.50) ALDH1A1USP2HPGDSMN1; SMN2GAA
SCHEMBL25379723 0.93 ALDH1A1 (0.55) ALDH1A1USP2HPGDSMN1; SMN2GAA
SCHEMBL25380338 0.93 ALDH1A1 (0.55) ALDH1A1USP2HPGDSMN1; SMN2GAA
SCHEMBL29201220 0.93 ALDH1A1 (0.55) ALDH1A1USP2HPGDSMN1; SMN2GAA
SCHEMBL25380339 0.93 ALDH1A1 (0.55) ALDH1A1USP2HPGDSMN1; SMN2GAA
SCHEMBL31581362 0.93 ALDH1A1 (0.55) ALDH1A1USP2HPGDSMN1; SMN2GAA
SCHEMBL29153995 0.93 ALDH1A1 (0.55) ALDH1A1USP2HPGDSMN1; SMN2GAA
SCHEMBL27571437 0.92 ALDH1A1 (0.45) ALDH1A1USP2HPGDSMN1; SMN2GAA
SCHEMBL28283269 0.92 ALDH1A1 (0.45) ALDH1A1USP2HPGDSMN1; SMN2GAA

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-1349571-A Tow and process of making same DU PONT (US) 2002-05-15 CN disclosed