SCHEMBL9015753

SCHEMBL9015753

CC(COC(=O)CCC(=O)OO)OC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.38
ALOX5 P09917 2/20 0.37
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
VCAM1 P19320 7/20 0.37
SERPINE1 P05121 3/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
HMGCR P04035 1/20 0.34
GAA P10253 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL9015594 0.82 LMNA (0.41) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL9015755 0.79 VCAM1 (0.45) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL9015840 0.77 LMNA (0.46) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL206902 0.76 GAA (0.50) LMNAALOX5MEN1KMT2AHMGCR
SCHEMBL29546959 0.76 LMNA (0.47) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL25639251 0.75 KMT2A (0.48) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL9245230 0.74 GAA (0.48) LMNAALOX5MEN1KMT2AHMGCR
SCHEMBL9015696 0.74 LMNA (0.43) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL29160406 0.74 CA2 (0.59) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL9556875 0.72 GAA (0.46) LMNAALOX5MEN1KMT2AHMGCR

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
US-5516856-A IMPROVED PROCESS FOR THE MODIFICATION OF THE MOLECULAR CHAIN OF A POLYMER ELF ATOCHEM NORTH AMERICA, INC. (US) 1996-05-14 US disclosed
US-5051531-A As polymerization catalysts and for crosslinking ATOCHEM NORTH AMERICA, INC. (US) 1991-09-24 US disclosed