SCHEMBL8425253

SCHEMBL8425253

CCCCC(CC)C(OOC(C)C)(OC(=O)O)C1CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.32
MMP7 P09237 1/20 0.32
MMP12 P39900 1/20 0.32
ECE1 P42892 1/20 0.32
MMP13 P45452 1/20 0.32
CTSK P43235 2/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
BCHE P06276 1/20 0.31
ALOX5 P09917 2/20 0.30
PPARG P37231 2/20 0.30
PTGES O14684 1/20 0.30
PTGS2 P35354 1/20 0.30
PSEN1 P49768 1/20 0.30
MAPT P10636 1/20 0.30
CTSS P25774 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
SCHEMBL8425250 0.92 MMP1 (0.33) MMP1MMP7MMP12ECE1MMP13
SCHEMBL8428114 0.79
SCHEMBL95012 0.72 PPARG (0.36) MMP1MMP7MMP12ECE1MMP13
SCHEMBL8428109 0.70
SCHEMBL27526942 0.69 CA2 (0.50) MMP1MMP7MMP12ECE1MMP13
2-Ethylhexanoic Acid SCHEMBL27535370 0.68 CA2 (0.57) ALOX5PPARGPTGESPTGS2PSEN1
SCHEMBL29222466 0.67 CYP1A2 (0.39) MMP1MMP7MMP12ECE1MMP13
SCHEMBL19221682 0.67 CYP1A2 (0.39) MMP1MMP7MMP12ECE1MMP13
SCHEMBL9766494 0.67 MMP1 (0.39) MMP1MMP7MMP12ECE1MMP13
SCHEMBL5980305 0.67 PPARG (0.36) MMP1MMP7MMP12ECE1MMP13

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-0610016-B2 1-Cyclohexyl-1-methylethylperoxy carbonates, method for production thereof, and uses therefor NOF CORP (JP) 1999-10-20 EP disclosed
US-5446191-A Polymerization initiator for vinyl monomer, curing agent for unsaturated polyester NOF CORPORATION (JP) 1995-08-29 US disclosed
EP-0610016-A1 1-Cyclohexyl-1-methylethylperoxy carbonates, method for production thereof, and uses therefor NOF CORPORATION (JP) 1994-08-10 EP disclosed