SCHEMBL28534749

SCHEMBL28534749

CCCCCCCCC#CCC#CCCS(=O)(=O)O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
PTPN7 P35236 5/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
ALOX12 P18054 1/20 0.53
BLM P54132 1/20 0.53
KMT2A Q03164 1/20 0.53
MCL1 Q07820 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HMGCR P04035 3/20 0.47
EPHX2 P34913 5/20 0.41
CA2 P00918 1/20 0.37
FAAH O00519 2/20 0.36

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
SCHEMBL10994306 0.86 PTPN7 (0.52) RECQLTDP1PTPN7KDM4EMEN1
SCHEMBL9213494 0.79 RECQL (0.65) RECQLTDP1PTPN7KDM4EMEN1
SCHEMBL10386456 0.79 RECQL (0.65) RECQLTDP1PTPN7KDM4EMEN1
SCHEMBL4169866 0.79 RECQL (0.65) RECQLTDP1PTPN7KDM4EMEN1
SCHEMBL4429126 0.79 RECQL (0.65) RECQLTDP1PTPN7KDM4EMEN1
SCHEMBL30629412 0.77 RECQL (0.63) RECQLTDP1PTPN7KDM4EMEN1
SCHEMBL59534 0.75 PTPN7 (0.61) RECQLTDP1PTPN7KDM4EMEN1
SCHEMBL9556436 0.75 PTPN7 (0.38) RECQLTDP1PTPN7KDM4EMEN1
SCHEMBL19453195 0.74 PTGS1 (0.45) BLM
SCHEMBL9467889 0.74 RECQL (0.60) RECQLTDP1PTPN7KDM4EMEN1

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
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 disclosed