SCHEMBL13699115

SCHEMBL13699115

C=C(OCC)C(Cc1ccccc1)C(=O)OCC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.66
ALDH1A1 P00352 3/20 0.54
TP53 P04637 1/20 0.54
NPY1R P25929 1/20 0.53
NPY2R P49146 1/20 0.53
PKM P14618 1/20 0.51
TDP1 Q9NUW8 3/20 0.48
MDM2 Q00987 1/20 0.46
PIN1 Q13526 1/20 0.45
EPHX2 P34913 1/20 0.45
PPARG P37231 1/20 0.45
L3MBTL1 Q9Y468 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL165382 0.88 MMP8 (0.76) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL467987 0.86 MMP8 (0.73) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL28250166 0.84 MMP8 (0.66) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL28682225 0.83 MMP8 (0.69) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL856250 0.83 MMP8 (0.69) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL5713294 0.82 MMP8 (0.68) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL6893163 0.82 MMP8 (0.68) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL17203012 0.81 MMP8 (0.66) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL8329377 0.81 MMP8 (0.66) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL5143414 0.81 MMP8 (0.66) MMP8ALDH1A1TP53NPY1RNPY2R

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009113704-A2 FLUORINE-CONTAINING COMPOUND AND METHOD FOR DETECTING BIOMOLECULE USING THE SAME KYOTO UNIVERSITY (JP) 2009-09-17 WO disclosed