SCHEMBL4201177

SCHEMBL4201177

[CH2]C(c1ccccc1)C(C(=O)OCC)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.51
KMT2A Q03164 2/20 0.50
PIN1 Q13526 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.45
TSHR P16473 2/20 0.44
CYP2D6 P10635 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL5728738 0.87 KMT2A (0.64) MMP8KMT2APIN1TDP1MEN1
SCHEMBL2301980 0.82 MMP8 (0.54) MMP8KMT2APIN1TDP1MEN1
SCHEMBL1661290 0.82 MMP8 (0.54) MMP8KMT2APIN1TDP1MEN1
SCHEMBL28497599 0.82 MMP8 (0.54) MMP8KMT2APIN1MEN1NPC1
SCHEMBL25600199 0.81 MMP8 (0.53) MMP8KMT2APIN1MEN1NPC1
SCHEMBL28258997 0.81 MMP8 (0.53) MMP8KMT2APIN1MEN1NPC1
SCHEMBL21555695 0.81 MMP8 (0.53) MMP8KMT2APIN1TDP1MEN1
SCHEMBL290694 0.80 MMP8 (0.56) MMP8KMT2APIN1TDP1MEN1
SCHEMBL1645937 0.79 MMP8 (0.51) MMP8KMT2APIN1MEN1NPC1
SCHEMBL27629137 0.79 MMP8 (0.51) MMP8KMT2APIN1MEN1NPC1

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-2300590-B1 METHOD OF REDUCING VISCOSITY OF CONCENTRATED LIQUID CLEANSERS BY SELECTION OF PERFUME COMPONENTS UNILEVER PLC (GB) 2016-11-16 EP disclosed
US-20090312224-A1 Method of Reducing Viscosity of Concentrated Liquid Cleansers by Selection of Perfume Components CONOPCO, INC., D/B/A UNILEVER (US) 2009-12-17 US disclosed
US-20090312223-A1 Method of Controlling Structure and Rheology of Low Active Liquid Cleansers by Selecting Perfume Components CONOPCO, INC., D/B/A UNILEVER (US) 2009-12-17 US disclosed