SCHEMBL8729030

SCHEMBL8729030

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.51
CA1 P00915 4/20 0.51
MAPK1 P28482 1/20 0.43
ATM Q13315 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 1/20 0.39
XBP1 P17861 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 3/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
USP2 O75604 1/20 0.32
CTSK P43235 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 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
SCHEMBL57471 0.91 CA2 (0.58) CA2CA1MAPK1ATML3MBTL1
SCHEMBL12140593 0.89 CA2 (0.56) CA2CA1MAPK1ATML3MBTL1
SCHEMBL10714547 0.89 CA2 (0.56) CA2CA1MAPK1ATML3MBTL1
Hydrogen Peroxide SCHEMBL15855960 0.89 CA2 (0.56) CA2CA1MAPK1ATML3MBTL1
SCHEMBL21081722 0.84 CA2 (0.50) CA2CA1MAPK1ATML3MBTL1
SCHEMBL544487 0.84 CA2 (0.47) CA2CA1MAPK1ATML3MBTL1
SCHEMBL2832671 0.84 CA2 (0.47) CA2CA1MAPK1ATML3MBTL1
SCHEMBL218700 0.84 CA2 (0.58) CA2CA1MAPK1ATML3MBTL1
SCHEMBL2335903 0.83 CA2 (0.53) CA2CA1MAPK1ATML3MBTL1
SCHEMBL31486196 0.82 CA2 (0.49) CA2CA1MAPK1ATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0259537-B1 PROCESS FOR REDUCING RESIDUAL MONOMERS IN LOW VISCOSITY POLYMER-POLYOLS ATOCHEM NORTH AMERICA, INC. (a Pennsylvania corp.) (US) 1992-03-25 EP claimed
US-4929651-A ISOPHTHALIC ACID, UNSATURATED COPOLYESTERS OWENS-CORNING FIBERGLAS CORPORATION (US) 1990-05-29 US claimed
EP-0259537-A2 Process for reducing residual monomers in low viscosity polymer-polyols ATOCHEM NORTH AMERICA, INC. (a Pennsylvania corp.) (US) 1988-03-16 EP claimed
CN-104394832-A Cosmetic composition comprising an oil, hydrophobic silica aerogel particles and a hydrocarbon-based resin OREAL 2015-03-04 CN disclosed
CN-1708279-A Glossy anti-migration composition comprising a block polymer OREAL (FR) 2005-12-14 CN disclosed
US-5834524-A Process for the preparation of crosslinked polymers BAYER AKTIENGESELLSCHAFT (DE) 1998-11-10 US disclosed
EP-0259537-B1 PROCESS FOR REDUCING RESIDUAL MONOMERS IN LOW VISCOSITY POLYMER-POLYOLS ATOCHEM NORTH AMERICA, INC. (a Pennsylvania corp.) (US) 1992-03-25 EP disclosed