SCHEMBL7429704

SCHEMBL7429704

CCOC(=O)C(CCCOCc1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.61
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 7/20 0.49
MAPK1 P28482 4/20 0.49
MMP8 P22894 1/20 0.49
ALDH1A1 P00352 4/20 0.48
TSHR P16473 3/20 0.48
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP3A4 P08684 1/20 0.43
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
PTPN1 P18031 1/20 0.42
NAAA Q02083 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL5321935 0.96 TDP1 (0.67) TDP1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL7573913 0.94 TDP1 (0.55) TDP1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL5857539 0.91 TDP1 (0.61) TDP1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL3290933 0.90 TDP1 (0.59) TDP1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL16826227 0.90 TDP1 (0.59) TDP1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL10474182 0.89 TDP1 (0.56) TDP1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL900165 0.87 TDP1 (0.57) TDP1MEN1KMT2AL3MBTL1MAPK1
Butane SCHEMBL11295410 0.87 TDP1 (0.47) TDP1L3MBTL1MAPK1MMP8ALDH1A1
SCHEMBL14739095 0.85 MMP3 (0.46) TDP1L3MBTL1MAPK1MMP8ALDH1A1
SCHEMBL12677778 0.84 TDP1 (0.55) TDP1MEN1KMT2AL3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0046590-B1 PHEN(ALK)OXY-SUBSTITUTED OXIRANE-CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION, THEIR USE AND DRUGS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1985-05-22 EP disclosed
US-4337267-A HYPOKETONEMIC, HYPOGLYCEMIC, ANTIDIABETIC BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-06-29 US disclosed
WO-1982000643-A1 SUBSTITUTED OXIRANECARBONIC ACIDS,PREPARATION AND PHARMACEUTICAL UTILISATION THEREOF BYK GULDEN LOMBERG CHEM FAB (DE) 1982-03-04 WO disclosed
EP-0046590-A2 Phen(alk)oxy-substituted oxirane-carboxylic acids, process for their preparation, their use and drugs containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1982-03-03 EP disclosed