SCHEMBL2585535

SCHEMBL2585535

CCCC1CCC(C)(CO)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.32
FYN P06241 1/20 0.31
CYP2C9 P11712 1/20 0.31
PIM1 P11309 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 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
SCHEMBL11127988 0.79 EPHX1 (0.39) EPHX1POLB
SCHEMBL12481818 0.77 ESR2 (0.35) MEN1ALDH1A1CYP2D6KMT2ACTDSP1
SCHEMBL19012099 0.77 CYP1A2 (0.37) MEN1ALDH1A1CYP2D6KMT2ACTDSP1
SCHEMBL21038098 0.76 EPHX1 (0.30) EPHX1
SCHEMBL7192072 0.75 CYP1A2 (0.36) MEN1ALDH1A1CYP2D6KMT2ACTDSP1
SCHEMBL13361159 0.75 CYP1A2 (0.36) MEN1ALDH1A1CYP2D6KMT2ACTDSP1
SCHEMBL26196760 0.74 EPHX1 (0.42) EPHX1
SCHEMBL27639252 0.73 CYP1A2 (0.34) MEN1ALDH1A1CYP2D6KMT2ACTDSP1
SCHEMBL19983259 0.73 CYP1A2 (0.34) MEN1ALDH1A1CYP2D6KMT2ACTDSP1
SCHEMBL20612662 0.72 EPHX1 (0.33) EPHX1CYP2D6CYP2C9

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 4 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
WO-2020152004-A1 MULTI-COMPONENT CLEANING SYSTEM HENKEL AG & CO. KGAA (DE) 2020-07-30 WO disclosed
EP-2566943-A1 DOSING SYSTEM FOR RELEASING PREPARATIONS COMPRISING BLEACH DURING A WASHING PROGRAM OF A WASHING MACHINE Henkel AG & Co. KGaA (DE) 2013-03-13 EP disclosed
WO-2011138218-A1 DOSING SYSTEM FOR RELEASING PREPARATIONS COMPRISING BLEACH DURING A WASHING PROGRAM OF A WASHING MACHINE HENKEL AG & CO. KGAA (DE) 2011-11-10 WO disclosed