SCHEMBL7064973

SCHEMBL7064973

CCC=C(C(=O)OC(C)(C)C)C(C)C(C)(C(=O)O)C(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.33
PKM P14618 1/20 0.33
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 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
SCHEMBL31674074 0.74 MMP8 (0.44) MMP8PKMCYP1A2HTT
SCHEMBL7064865 0.71 MMP8 (0.37) MMP8PKMCYP1A2CYP2C9CYP2C19
SCHEMBL4414269 0.68 MMP8 (0.48) MMP8PKMCYP1A2HTT
SCHEMBL10618336 0.66 MMP8 (0.40) MMP8PKMCYP1A2HTT
SCHEMBL28323402 0.65 DGAT1 (0.31)
SCHEMBL12200406 0.65 NPSR1 (0.42) CYP1A2CYP2C9CYP2C19
SCHEMBL3277580 0.65 MMP8 (0.48) MMP8PKMCYP1A2HTT
SCHEMBL10618294 0.63 MMP8 (0.38) MMP8PKMCYP1A2CYP2C9CYP2C19
SCHEMBL5792339 0.63 MMP8 (0.43) MMP8PKMCYP1A2HTT
SCHEMBL2294428 0.62 ALDH1A1 (0.43) CYP1A2CYP2C9CYP2C19HTT

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
EP-0729449-B1 ALLYLIC CHAIN TRANSFER AGENTS COMMW SCIENT IND RES ORG (AU) 2000-02-02 EP claimed
US-20030149211-A1 Free radical initiated polymerization of unsaturated monomers with the use of a allylic chain transfer agent for molecular weight control AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2003-08-07 US disclosed