SCHEMBL9633780

SCHEMBL9633780

CC(=O)c1ccc2c(c1C(C)=O)C(=O)OC21c2cc(Cl)c(O)cc2Oc2cc(O)c(Cl)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.39
TYMS P04818 1/20 0.39
FTO Q9C0B1 9/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 3/20 0.37
SMAD3 P84022 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
PRMT1 Q99873 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL384698 0.84 FTO (0.54) DHFRTYMSFTOALDH1A1MEN1
SCHEMBL19211134 0.80 DHFR (0.47) DHFRTYMSFTOALDH1A1MEN1
SCHEMBL1468956 0.78 ALDH1A1 (0.40) DHFRTYMSFTOALDH1A1MEN1
SCHEMBL20838512 0.76 FTO (0.40) DHFRTYMSFTOALDH1A1MEN1
SCHEMBL5316637 0.75 FTO (0.41) DHFRTYMSFTOALDH1A1MEN1
Dichlorofluorescein SCHEMBL21196869 0.74 MAPT (0.57) DHFRTYMSFTOALDH1A1MEN1
SCHEMBL4278233 0.74 DHFR (0.39) DHFRTYMSFTOALDH1A1MEN1
SCHEMBL1689593 0.73 ALDH1A1 (0.44) DHFRTYMSFTOALDH1A1MEN1
SCHEMBL938920 0.72 DHFR (0.39) DHFRTYMSFTOALDH1A1MEN1
Dichlorofluorescein SCHEMBL29364373 0.72 MAPT (0.64) DHFRTYMSFTOALDH1A1MEN1

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
EP-0185547-B1 POLYNUCLEOTIDE HYBRIDIZATION ASSAYS EMPLOYING CATALYZED LUMINESCENCE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-03 EP disclosed
US-4224407-A USING L-LYSINE A-OXIDASE YAMASA SHOYU KABUSHIKI KAISHA (JP) 1980-09-23 US disclosed