SCHEMBL4138413

SCHEMBL4138413

CCOC(=O)C(C)(C)CC(C)CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.47
CYP4F2 P78329 3/20 0.46
CYP4A11 Q02928 3/20 0.46
PKM P14618 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
THRB P10828 1/20 0.34
ABCB11 O95342 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
HTR2A P28223 1/20 0.34
PMP22 Q01453 1/20 0.34
PPARA Q07869 1/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 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
SCHEMBL23907038 0.85 MMP8 (0.45) MMP8CYP4F2CYP4A11PKMALDH1A1
SCHEMBL7857447 0.83 MMP8 (0.59) MMP8CYP4F2CYP4A11PKMALDH1A1
SCHEMBL10038338 0.83 MMP8 (0.33) MMP8CYP4F2CYP4A11
SCHEMBL12506187 0.82 MMP8 (0.49) MMP8CYP4F2CYP4A11PKMALDH1A1
SCHEMBL28292468 0.82 MMP8 (0.37) MMP8
SCHEMBL23907130 0.81 MMP8 (0.45) MMP8CYP4F2CYP4A11PKMALDH1A1
SCHEMBL23907082 0.81 CYP4F2 (0.51) MMP8CYP4F2CYP4A11PKMALDH1A1
SCHEMBL3829694 0.80 MMP8 (0.47) MMP8CYP4F2CYP4A11PKMALDH1A1
SCHEMBL19038318 0.80 MMP8 (0.47) MMP8CYP4F2CYP4A11PKMALDH1A1
SCHEMBL14593938 0.80 MMP8 (0.47) MMP8CYP4F2CYP4A11PKMALDH1A1

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-3914685-A1 MULTI-COMPONENT CLEANING SYSTEM Henkel AG & Co. KGaA (DE) 2021-12-01 EP disclosed
US-20210348088-A1 Multi-Component Cleaning System HENKEL AG & CO. KGAA (DE) 2021-11-11 US disclosed
US-20090081755-A1 FRAGRANT CONSUMER PRODUCTS COMPRISING OXIDIZING AGENTS HENKEL AG & CO. KG A (DE) 2009-03-26 US disclosed