SCHEMBL7106072

SCHEMBL7106072

O=C(OOC(=O)OOC1CCCCC1)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
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
CYP3A4 P08684 1/20 0.32
EPHX2 P34913 1/20 0.32
STS P08842 3/20 0.32
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL22733772 0.97 EPHX1 (0.40) EPHX1CES2CES1CA1CA2
SCHEMBL29525024 0.95 EPHX1 (0.37) EPHX1CES2CES1CA1CA2
SCHEMBL146168 0.86 EPHX1 (0.45) EPHX1CA1CA2CYP2C19NAAA
SCHEMBL11504811 0.86 EPHX1 (0.45) EPHX1CA1CA2CYP2C19NAAA
SCHEMBL960718 0.83 EPHX1 (0.38) EPHX1CES2CES1CA1CA2
SCHEMBL11669033 0.83 EPHX1 (0.38) EPHX1CES2CES1CA1CA2
SCHEMBL258321 0.81 EPHX1 (0.41) EPHX1CA1CA2CYP2C19NAAA
SCHEMBL6507671 0.80 EPHX1 (0.39) EPHX1CES2CES1CA1CA2
SCHEMBL7015517 0.80 EPHX1 (0.43) EPHX1CES2CES1CA1CA2
SCHEMBL4597818 0.79 EPHX1 (0.35) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1192192-B1 METHOD FOR THE PRODUCTION OF A CONTROLLED RHEOLOGICAL POLYPROPYLENE RESIN ATOFINA (FR) 2003-03-26 EP claimed
CN-111018745-A Compound for packaging film, organic film packaging material and packaging film 吉林奥来德光电材料股份有限公司 2020-04-17 CN disclosed