SCHEMBL6575124

SCHEMBL6575124

CCOC(=O)COc1ccc(CCBr)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.49
KDM4E B2RXH2 5/20 0.49
HSD17B10 Q99714 4/20 0.49
NPSR1 Q6W5P4 2/20 0.48
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
HPGD P15428 5/20 0.45
MAPT P10636 5/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
P2RY12 Q9H244 1/20 0.45
PTPN1 P18031 1/20 0.44
ALDH1A1 P00352 4/20 0.43
TP53 P04637 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
NTSR1 P30989 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
SCHEMBL24133251 0.89 KDM4E (0.51) GAAKDM4EHSD17B10NPSR1PPARG
SCHEMBL6577597 0.85 KDM4E (0.50) GAAKDM4EHSD17B10NPSR1PPARG
SCHEMBL6809898 0.83 ALDH1A1 (0.51) GAAKDM4EHSD17B10NPSR1PPARG
SCHEMBL903954 0.82 GAA (0.57) GAAKDM4EHSD17B10NPSR1PPARG
SCHEMBL5531605 0.81 GAA (0.53) GAAKDM4EHSD17B10NPSR1PPARG
SCHEMBL13744660 0.80 GAA (0.56) GAAKDM4EHSD17B10NPSR1PPARG
SCHEMBL6809927 0.80 L3MBTL1 (0.50) GAAKDM4EHSD17B10NPSR1HPGD
SCHEMBL7486777 0.79 HPGD (0.56) GAAKDM4EHSD17B10NPSR1PPARG
SCHEMBL6813576 0.79 ABCB1 (0.43) GAAKDM4EHSD17B10NPSR1HPGD
SCHEMBL6458038 0.78 HSD17B10 (0.53) GAAKDM4EHSD17B10NPSR1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1002791-B1 AMINOETHYLPHENOXYACETIC ACID DERIVATIVES AND DRUGS FOR PAIN REMISSION AND CALCULI REMOVAL PROMOTION IN URINARY LITHIASIS KISSEI PHARMACEUTICAL (JP) 2004-10-20 EP disclosed
US-6399660-B1 AMINOETHYLPHENOXYACETIC ACID COMPOUND KISSEI PHARMACEUTICAL CO., LTD. (JP) 2002-06-04 US disclosed
EP-1002791-A1 AMINOETHYLPHENOXYACETIC ACID DERIVATIVES AND DRUGS FOR PAIN REMISSION AND CALCULI REMOVAL PROMOTION IN URINARY LITHIASIS Kissei Pharmaceutical Co., Ltd. (JP) 2000-05-24 EP disclosed