SCHEMBL8505385

SCHEMBL8505385

CCCOC(=O)OOC(C)(C)CC

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.38
ALDH1A1 P00352 5/20 0.33
LMNA P02545 1/20 0.32
ATM Q13315 1/20 0.32
TSHR P16473 3/20 0.32
ALOX5 P09917 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
ESR1 P03372 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDR P35968 1/20 0.32
RAB9A P51151 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
SCHEMBL30457292 0.89 HCAR2 (0.32) HCAR2ALDH1A1LMNATSHRALOX5
SCHEMBL5076033 0.89 ATM (0.47) HCAR2ALDH1A1LMNAATMTSHR
SCHEMBL6927551 0.88 HCAR2 (0.38) HCAR2ALDH1A1LMNAATMTSHR
SCHEMBL8504674 0.87 NAAA (0.44) HCAR2ALDH1A1LMNAATMTSHR
SCHEMBL6930648 0.86 TSHR (0.36) ALDH1A1TSHRTDP1
Bicarbonate SCHEMBL26113508 0.85 HCAR2 (0.34) HCAR2ALDH1A1LMNAALOX5
SCHEMBL8504224 0.83 HCAR2 (0.41) HCAR2ALDH1A1LMNAATMTSHR
SCHEMBL8529872 0.83 ATM (0.38) HCAR2ALDH1A1ATMTSHR
SCHEMBL22611957 0.83 TSHR (0.39) ALDH1A1TSHRTDP1
SCHEMBL11514705 0.82 ATM (0.37) HCAR2ALDH1A1ATMTSHR

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-0879224-A4 NOVEL POLY(MONOPEROXYCARBONATES) ATOCHEM NORTH AMERICA ELF (US) 1999-05-26 EP disclosed
EP-0879224-A1 NOVEL POLY(MONOPEROXYCARBONATES) ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-11-25 EP disclosed
WO-1998007684-A1 NOVEL POLY(MONOPEROXYCARBONATES) ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-02-26 WO disclosed