SCHEMBL9015645

SCHEMBL9015645

CCCCC(CC)C(=O)OOC(C)(C)CC(C)OC(=O)OCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.42
XBP1 P17861 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
HMGCR P04035 2/20 0.32
KMT2A Q03164 1/20 0.32
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9015619 0.81 HMGCR (0.38) GAAATMNPSR1HMGCRKMT2A
SCHEMBL8614728 0.74 CA2 (0.45) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL9015622 0.73 HMGCR (0.38) GAAATMNPSR1HMGCRKMT2A
SCHEMBL7788680 0.72 CA2 (0.43) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL9145714 0.72 CA2 (0.43) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL5030597 0.72 GAA (0.44) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL7921624 0.71 CA2 (0.42) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL7788678 0.71 CA2 (0.42) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL8619651 0.71 CA2 (0.42) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL8614721 0.71 TSHR (0.43) GAAXBP1ATMNPSR1L3MBTL1

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