SCHEMBL6818308

SCHEMBL6818308

CCOC(=O)COc1ccc(C(C)=O)cc1OCOC

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
ALDH1A1 P00352 3/20 0.50
CREBBP Q92793 1/20 0.46
MEN1 O00255 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ESR1 P03372 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL2010422 0.92 KMT2A (0.66) KMT2AALDH1A1CREBBPMEN1NPSR1
SCHEMBL7465120 0.88 KMT2A (0.78) KMT2AALDH1A1CREBBPMEN1SMN1; SMN2
Perchlorate SCHEMBL5784148 0.85 KMT2A (0.59) KMT2AALDH1A1CREBBPMEN1NPSR1
SCHEMBL2439155 0.82 KMT2A (0.57) KMT2AALDH1A1CREBBPMEN1NPSR1
SCHEMBL3480463 0.80 HSD17B2 (0.59) KMT2AALDH1A1MEN1NPSR1SMN1; SMN2
SCHEMBL7361563 0.80 KMT2A (0.65) KMT2AALDH1A1CREBBPMEN1SMN1; SMN2
SCHEMBL2848020 0.80 KMT2A (0.61) KMT2AALDH1A1MEN1SMN1; SMN2TSHR
SCHEMBL2007531 0.80 ALDH1A1 (0.54) KMT2AALDH1A1CREBBPMEN1NPSR1
SCHEMBL5531456 0.80 KMT2A (0.54) KMT2AALDH1A1CREBBPMEN1NPSR1
SCHEMBL6155851 0.77 KMT2A (0.46) KMT2AALDH1A1CREBBPMEN1SMN1; SMN2

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-1095932-B1 PHENOXYACETIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME KISSEI PHARMACEUTICAL (JP) 2004-05-19 EP disclosed
US-6538152-B1 Obesity, hyperglycemia, urinary incontinence, intestinal or biliary calculi hypermotility, pollakiuria and depression treatment KISSEI PHARMACEUTICAL CO., LTD. (JP) 2003-03-25 US disclosed
EP-1095932-A1 PHENOXYACETIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2001-05-02 EP disclosed