SCHEMBL8529908

SCHEMBL8529908

CCOC(=O)OOC(C)(C)C#CC(C)(C)OOC(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
SOAT1 P35610 1/20 0.44
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
PKM P14618 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TRPA1 O75762 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP4F2 P78329 2/20 0.32
CYP4A11 Q02928 2/20 0.32
TSHR P16473 2/20 0.32
ABCB11 O95342 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
SCHEMBL7933321 0.92 ALDH1A1 (0.44) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL2964690 0.88 ALDH1A1 (0.44) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL4759769 0.81 ALDH1A1 (0.41) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL27897713 0.80 ALDH1A1 (0.55) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL8532699 0.80 ALDH1A1 (0.44) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL2105422 0.78 ALDH1A1 (0.52) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL7927516 0.77 ALDH1A1 (0.50) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL374891 0.74 ALDH1A1 (0.75) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL10714796 0.73 CA2 (0.37) TSHR
SCHEMBL14776493 0.73 ALDH1A1 (0.46) ALDH1A1SOAT1LMNAHSD17B10ALOX15

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
US-5837782-A POLYMERIZATION CATALYST ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-11-17 US disclosed
EP-0850929-A1 Novel bis(mono- and diperoxy-oxalates) derived from dihydroperoxides and alkyl and alkylperoxy halooxalates ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-07-01 EP disclosed
US-4239803-A CONTAINING ALKYLTHIOALKYLENECAROXYLIC ACID ESTER OF A POLYCARBOCYCC POLYHYDRIC PHENOL ARGUS CHEMICAL CORPORATION (US) 1980-12-16 US disclosed