SCHEMBL9624216

SCHEMBL9624216

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 5/20 0.35
HMGCR P04035 3/20 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
LPAR3 Q9UBY5 3/20 0.32
LPAR2 Q9HBW0 1/20 0.32
FDPS P14324 2/20 0.32
FAAH O00519 2/20 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
SCHEMBL9624038 0.95 PTPN7 (0.41) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL9624243 0.83 PTPN7 (0.33) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL9623644 0.79 PTPN7 (0.38) PTPN7HMGCRRECQLTDP1KDM4E
SCHEMBL9623150 0.78 MEN1 (0.33) TDP1MEN1HPGDBLMKMT2A
SCHEMBL3741739 0.75 FDPS (0.44) LPAR3LPAR2FDPS
SCHEMBL10682984 0.74 FDPS (0.47) LPAR3LPAR2FDPS
SCHEMBL10682391 0.73 GGPS1 (0.50) LPAR3LPAR2FDPS
SCHEMBL10683628 0.73 GGPS1 (0.50) LPAR3LPAR2FDPS
SCHEMBL10683719 0.71 FDPS (0.41) TDP1MEN1HPGDBLMKMT2A
SCHEMBL9623803 0.71 FDPS (0.39) PTPN7HMGCRRECQLTDP1KDM4E

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