SCHEMBL9623803

SCHEMBL9623803

CCCCC#CCC(C)C(=O)CP(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 6/20 0.39
PTPN7 P35236 4/20 0.35
HMGCR P04035 2/20 0.35
RECQL P46063 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LAP3 P28838 1/20 0.33
LPAR3 Q9UBY5 3/20 0.32
LPAR2 Q9HBW0 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
SCHEMBL15549593 0.90 FDPS (0.39) FDPSTDP1MEN1HPGDBLM
SCHEMBL9624241 0.83 PTPN7 (0.33) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL20265907 0.83 GRIK1 (0.35) FDPSTDP1MEN1HPGDBLM
SCHEMBL9623947 0.83 GRIK1 (0.35) FDPSTDP1MEN1HPGDBLM
SCHEMBL16819671 0.82 FDPS (0.31) FDPS
SCHEMBL16819658 0.81 MEN1 (0.33) FDPSTDP1MEN1HPGDBLM
SCHEMBL16819674 0.80 LAP3 (0.31) FDPSTDP1MEN1HPGDBLM
SCHEMBL9381245 0.79 PTPN7 (0.38) FDPSPTPN7HMGCRRECQLTDP1
SCHEMBL9547937 0.78 MEN1 (0.33) FDPSTDP1MEN1HPGDBLM
SCHEMBL9090285 0.78 MEN1 (0.33) FDPSTDP1MEN1HPGDBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0274064-B1 2,5,6,7-TETRANOR-18,18,19,19-TETRADEHYDRO-4,8-INTER-M-PHENYLENE PGI2 DERIVATIVES TORAY INDUSTRIES, INC. (JP) 1992-03-18 EP disclosed
US-4880939-A ANTISECRETORY AGENTS, HYPOTENSIVES, ANTICOAGULANTS TORAY INDUSTRIES (JP) 1989-11-14 US disclosed
EP-0274064-A2 2,5,6,7-Tetranor-18,18,19,19-tetradehydro-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1988-07-13 EP disclosed