SCHEMBL6577597

SCHEMBL6577597

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
GAA P10253 4/20 0.50
HSD17B10 Q99714 4/20 0.50
NPSR1 Q6W5P4 2/20 0.49
PPARA Q07869 2/20 0.47
PPARG P37231 1/20 0.47
HPGD P15428 6/20 0.46
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
TP53 P04637 2/20 0.44
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
NTSR1 P30989 1/20 0.44
CYP2C19 P33261 1/20 0.44
GLA P06280 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CASP1 P29466 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
SCHEMBL6575124 0.85 GAA (0.49) KDM4EGAAHSD17B10NPSR1PPARA
SCHEMBL6809898 0.84 ALDH1A1 (0.51) KDM4EGAAHSD17B10NPSR1PPARA
SCHEMBL17973238 0.83 KDM4E (0.57) KDM4EGAAHSD17B10NPSR1PPARA
SCHEMBL6579492 0.82 POLB (0.52) KDM4EPPARAPPARGHPGDALDH1A1
SCHEMBL16569366 0.82 KDM4E (0.53) KDM4EGAAHSD17B10NPSR1PPARA
SCHEMBL8251631 0.81 GAA (0.56) KDM4EGAAHSD17B10NPSR1PPARA
SCHEMBL6813349 0.81 ABCB1 (0.41) GAANPSR1PPARAPPARGHPGD
SCHEMBL27780118 0.80 ABCB1 (0.46) GAANPSR1HPGDALDH1A1MAPT
SCHEMBL903866 0.79 GAA (0.53) KDM4EGAAHSD17B10NPSR1PPARA
SCHEMBL1257644 0.79 KDM4E (0.56) KDM4EGAAHSD17B10NPSR1PPARA

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