SCHEMBL28540663

SCHEMBL28540663

CCCCCCCCC#CCC#CCOS(C)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
PTPN7 P35236 4/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
MCL1 Q07820 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HMGCR P04035 1/20 0.41
CA1 P00915 5/20 0.35
CA2 P00918 5/20 0.35
CA9 Q16790 5/20 0.35
CA12 O43570 1/20 0.35

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
SCHEMBL3410000 0.95 PTPN7 (0.44) RECQLTDP1PTPN7HMGCRCA1
SCHEMBL7580131 0.95 PTPN7 (0.44) RECQLTDP1PTPN7HMGCRCA1
SCHEMBL13204670 0.80 TSHR (0.58) RECQLTDP1PTPN7KDM4EUSP2
SCHEMBL11754274 0.79 KDM4E (0.37) KDM4EUSP2ALDH1A1CA1CA2
SCHEMBL9213494 0.77 RECQL (0.65) RECQLTDP1PTPN7KDM4EMEN1
SCHEMBL4169866 0.77 RECQL (0.65) RECQLTDP1PTPN7KDM4EMEN1
SCHEMBL10386456 0.77 RECQL (0.65) RECQLTDP1PTPN7KDM4EMEN1
SCHEMBL4429126 0.77 RECQL (0.65) RECQLTDP1PTPN7KDM4EMEN1
SCHEMBL17998130 0.75 KDM4E (0.35) KDM4EUSP2ALDH1A1
SCHEMBL3406485 0.75 TSHR (0.45) RECQLKDM4EMEN1USP2ALDH1A1

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
CN-112592326-B Enantioselective synthesis method of chiral (6Z,9Z) -3, 4-epoxy octadecadiene 常州大学 2022-05-17 CN claimed
CN-112592326-A Enantioselective synthesis method of chiral (6Z,9Z) -3, 4-epoxy octadecadiene 常州大学 2021-04-02 CN claimed
CN-112592326-B Enantioselective synthesis method of chiral (6Z,9Z) -3, 4-epoxy octadecadiene 常州大学 2022-05-17 CN disclosed
CN-112592326-A Enantioselective synthesis method of chiral (6Z,9Z) -3, 4-epoxy octadecadiene 常州大学 2021-04-02 CN disclosed