SCHEMBL6507671

SCHEMBL6507671

O=C(O)OOC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.39
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CYP2C19 P33261 1/20 0.34
NAAA Q02083 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
FABP7 O15540 1/20 0.33
FABP5 Q01469 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL7778970 0.86 EPHX1 (0.36) EPHX1CES2CES1CA1CA2
SCHEMBL29022117 0.82 EPHX1 (0.34) EPHX1CES2CES1CA1CA2
SCHEMBL22733772 0.82 EPHX1 (0.40) EPHX1CES2CES1CA1CA2
Bicarbonate SCHEMBL28775658 0.81 EPHX1 (0.43) EPHX1CES2CES1CA1CA2
Bicarbonate SCHEMBL6566447 0.81 EPHX1 (0.43) EPHX1CES2CES1CA1CA2
Bicarbonate SCHEMBL366336 0.81 EPHX1 (0.43) EPHX1CES2CES1CA1CA2
SCHEMBL909903 0.80 EPHX1 (0.39) EPHX1CES2CES1CA1CA2
SCHEMBL7106072 0.80 EPHX1 (0.39) EPHX1CES2CES1CA1CA2
SCHEMBL7015517 0.80 EPHX1 (0.43) EPHX1CES2CES1CA1CA2
SCHEMBL29525024 0.79 EPHX1 (0.37) EPHX1CES2CES1CA1CA2

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
WO-2005100369-A1 DEPLETION OF E-ISOMERS IN PREPARATION OF Z-ENRICHED 3-(2-SUBSTITUTED VINYL) CEPHALOSPORINS RANBAXY LABORATORIES LIMITED (IN) 2005-10-27 WO claimed
EP-4086299-B1 THERMALLY TREATED BIAXIALLY ORIENTED POLYPROPYLENE FILM BOREALIS AG (AT) 2024-07-03 EP disclosed
EP-3983369-B1 PROCESS FOR THE PRODUCTION OF DIACYL PEROXIDES NOURYON CHEMICALS INT BV (NL) 2023-08-02 EP disclosed
EP-4086299-A1 THERMALLY TREATED BIAXIALLY ORIENTED POLYPROPYLENE FILM Borealis AG (AT) 2022-11-09 EP disclosed
EP-3983369-A1 PROCESS FOR THE PRODUCTION OF DIACYL PEROXIDES Nouryon Chemicals International B.V. (NL) 2022-04-20 EP disclosed
WO-2020249690-A1 PROCESS FOR THE PRODUCTION OF DIACYL PEROXIDES NOURYON CHEMICALS INTERNATIONAL B.V. (NL) 2020-12-17 WO disclosed
WO-2016038092-A1 POLYPROPYLENE COMPOSITION FOR CAPACITOR FILM BOREALIS AG (AT) 2016-03-17 WO disclosed
WO-2005100369-A1 DEPLETION OF E-ISOMERS IN PREPARATION OF Z-ENRICHED 3-(2-SUBSTITUTED VINYL) CEPHALOSPORINS RANBAXY LABORATORIES LIMITED (IN) 2005-10-27 WO disclosed
EP-0340778-A2 Prodrugs of 2',3'- Didehydro-2',3'-Dideoxynucleosides Bristol-Myers Squibb Company (US) 1989-11-08 EP disclosed