SCHEMBL6864048

SCHEMBL6864048

CCCC(OC(=O)Cl)C(COC(=O)Cl)OC(=O)Cl

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 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
SCHEMBL6857047 0.89 CA2 (0.38) TDP1CYP3A4TSHR
SCHEMBL6861676 0.85 TDP1 (0.35) TDP1
SCHEMBL11300395 0.74 TDP1 (0.60) TDP1HDAC7HDAC8HDAC6HDAC9
SCHEMBL9435730 0.74 TSHR (0.41) TDP1HDAC7HDAC8HDAC6HDAC9
SCHEMBL19039717 0.73 TDP1 (0.32) TDP1HDAC7HDAC8HDAC6HDAC9
SCHEMBL15280925 0.72 MAPT (0.33) TDP1HDAC7HDAC8HDAC6HDAC9
SCHEMBL8098763 0.71 METAP1 (0.34) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL4958816 0.70 TDP1 (0.39) TDP1HDAC7HDAC8HDAC6HDAC9
SCHEMBL10700590 0.70 CTSK (0.46) TDP1HDAC7HDAC8HDAC6HDAC9
SCHEMBL19294802 0.69 TSHR (0.52) TDP1TSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1382596-A1 Novel poly (monoperoxycarbonates) Atofina Chemicals, Inc. (US) 2004-01-21 EP disclosed
EP-0879224-B1 NOVEL POLY(MONOPEROXYCARBONATES) ATOFINA CHEM INC (US) 2003-10-22 EP disclosed
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
US-5760149-A POLYMERIZATION INITIATORS, CURING AGENTS ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-06-02 US disclosed
WO-1998007684-A1 NOVEL POLY(MONOPEROXYCARBONATES) ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-02-26 WO disclosed