SCHEMBL28757900

SCHEMBL28757900

CCOC(=O)C(=O)OC1CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
NAAA Q02083 2/20 0.42
MAPT P10636 1/20 0.40
GAA P10253 2/20 0.38
ALDH1A1 P00352 4/20 0.37
NPSR1 Q6W5P4 1/20 0.36
GLO1 Q04760 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34

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
Hydrochloric Acid SCHEMBL28155166 0.98 EPHX1 (0.43) EPHX1NAAAMAPTGAAALDH1A1
SCHEMBL6541881 0.94 EPHX1 (0.52) EPHX1NAAAMAPTGAAALDH1A1
SCHEMBL27799400 0.94 MAPT (0.43) EPHX1NAAAMAPTGAAALDH1A1
SCHEMBL28318233 0.84 SMYD3 (0.43) EPHX1NAAAMAPTGAAALDH1A1
SCHEMBL29276568 0.81 NAAA (0.49) EPHX1NAAAALDH1A1HTTLMNA
SCHEMBL7814661 0.81 EPHX1 (0.47) EPHX1NAAAMAPTALDH1A1GLO1
SCHEMBL7822320 0.81 EPHX1 (0.43) EPHX1NAAAMAPTGAAALDH1A1
SCHEMBL8375449 0.81 ALDH1A1 (0.50) EPHX1NAAAGAAALDH1A1HTT
SCHEMBL7034602 0.80 EPHX1 (0.46) EPHX1NAAAMAPTALDH1A1NPSR1
SCHEMBL6325837 0.79 PTPN2 (0.35) EPHX1NAAAMAPTGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105517574-B The combination product of hepatitis C virus inhibitors 百时美施贵宝公司 2019-01-18 CN disclosed
CN-104302290-B Hepatitis c virus inhibitors 百时美施贵宝公司 2017-10-24 CN disclosed
CN-105517574-A Combinations of hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2016-04-20 CN disclosed
CN-103554088-B benzodiazepine compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO.,LTD. (JP) 2016-02-24 CN disclosed
CN-104302290-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2015-01-21 CN disclosed
CN-103554088-A Benzodiazepine compound and pharmaceutical composition OTSUKA PHARMA CO LTD 2014-02-05 CN disclosed
CN-101952259-B Benzodiazepine compound and pharmaceutical composition OTSUKA PHARMA CO LTD 2013-07-03 CN disclosed
CN-101952259-A Benzodiazepine compound and pharmaceutical composition OTSUKA PHARMA CO LTD 2011-01-19 CN disclosed
CN-1744899-A Piperidine derivatives as CCR5 antagonists SMITHKLINE BEECHAM CORP (US) 2006-03-08 CN disclosed