SCHEMBL9744298

SCHEMBL9744298

CCC(=O)O[C@H](CC)CC(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 4/20 0.37
MGAM O43451 2/20 0.34
GAA P10253 2/20 0.34
SI P14410 2/20 0.34
MGAM2 Q2M2H8 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
CTSK P43235 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
ESR1 P03372 1/20 0.31
HIF1A Q16665 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CYP1A2 P05177 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
SCHEMBL6902331 1.00 MEN1 (0.44) MEN1CYP2C19RECQLKMT2ATSHR
SCHEMBL13496722 0.84 MMP1 (0.44) MEN1CYP2C19RECQLKMT2ATSHR
SCHEMBL24952050 0.84 MEN1 (0.42) MEN1CYP2C19RECQLKMT2ATSHR
SCHEMBL9743044 0.84 MAPK1 (0.42) MEN1CYP2C19KMT2ATSHRHSD17B10
SCHEMBL9743514 0.83 MGAM (0.39) MEN1KMT2ATSHRMGAMGAA
SCHEMBL6785594 0.82 MEN1 (0.48) MEN1CYP2C19RECQLKMT2AMAPT
SCHEMBL9743654 0.82 MEN1 (0.43) MEN1CYP2C19RECQLKMT2ATSHR
SCHEMBL9744369 0.81 MAPK1 (0.51) MEN1CYP2C19KMT2ATSHRHSD17B10
SCHEMBL6125180 0.81 MEN1 (0.46) MEN1CYP2C19RECQLKMT2ATSHR
SCHEMBL15338054 0.81 MEN1 (0.46) MEN1CYP2C19RECQLKMT2ATSHR

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-5128252-A Resolution of optically active esters, transesterification, lipase CHISSO CORPORATION (JP) 1992-07-07 US disclosed
EP-0384189-A2 Optically active compound and a process for the production thereof CHISSO CORPORATION (JP) 1990-08-29 EP disclosed