SCHEMBL7757420

SCHEMBL7757420

CCCCC(CC)COC(=O)OOC(C)(C)CC(C)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.48
TSHR P16473 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
ATM Q13315 1/20 0.48
ALDH1A1 P00352 6/20 0.43
CA2 P00918 5/20 0.43
RECQL P46063 1/20 0.41
LMNA P02545 3/20 0.40
MAPK1 P28482 3/20 0.39
HSD17B10 Q99714 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CA1 P00915 2/20 0.36
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP14 P50281 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL7759363 0.91 MAPT (0.38) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL7783031 0.88 CYP3A4 (0.47) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL82417 0.86 CYP3A4 (0.53) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL216246 0.86 CYP3A4 (0.53) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL27338212 0.85 CYP3A4 (0.51) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL27338210 0.84 CYP3A4 (0.50) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL10581255 0.84 CYP3A4 (0.50) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL217482 0.83 CYP3A4 (0.55) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL29368285 0.83 CYP3A4 (0.55) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL7757446 0.83 CYP3A4 (0.49) CYP3A4TSHRTDP1ATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0381135-B1 Novel hydroxy-peroxides and their uses ATOCHEM NORTH AMERICA (US) 1994-06-01 EP claimed
EP-0381135-A2 Novel hydroxy-peroxides and their uses ATOCHEM NORTH AMERICA, INC. (US) 1990-08-08 EP claimed
JP-2240057-A None JP disclosed
EP-0850927-B1 Novel oxalic acid peroxide compositions and their uses ATOFINA CHEM INC (US) 2001-03-14 EP disclosed
US-5866712-A POLYMERIZATION AND CURING CATALYSTS ELF ATOCHEM NORTH AMERICA, INC. (US) 1999-02-02 US disclosed
EP-0850927-A1 Novel oxalic acid peroxide compositions and uses ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-07-01 EP disclosed
US-5451654-A Addition polymerization catalyst ELF ATOCHEM NORTH AMERICA, INC. (US) 1995-09-19 US disclosed
US-5387654-A Hydroxy-peroxides and their uses ELF ATOCHEM NORTH AMERICA, INC. (US) 1995-02-07 US disclosed
EP-0381135-B1 Novel hydroxy-peroxides and their uses ATOCHEM NORTH AMERICA (US) 1994-06-01 EP disclosed
US-5304649-A Curing agent for unsaturated polyesters ELF ATOCHEM NORTH AMERICA, INC. (US) 1994-04-19 US disclosed
JP-H02240057-A NOVEL HYDROXY-PEROXIDE AND USE THEREOF ATOCHEM NORTH AMERICA INC 1990-09-25 JP disclosed
EP-0381135-A2 Novel hydroxy-peroxides and their uses ATOCHEM NORTH AMERICA, INC. (US) 1990-08-08 EP disclosed