SCHEMBL28009359

SCHEMBL28009359

C=COC(=O)c1cc(C(=O)O)cc(S(=O)(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.65
FYN P06241 1/20 0.65
CYP1A2 P05177 1/20 0.41
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.33
POLA1 P09884 1/20 0.33
ANTXR2 P58335 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ING2 Q9H160 2/20 0.32
WDR5 P61964 1/20 0.32
MAPT P10636 1/20 0.32
IL1RN P18510 1/20 0.32
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA7 P43166 2/20 0.31
CA9 Q16790 2/20 0.31

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
SCHEMBL10110470 0.93 LCK (0.52) LCKFYNCYP1A2TDP1ING2
SCHEMBL4239126 0.86 POLB (0.40) LCKFYNCYP1A2TDP1POLB
SCHEMBL28852441 0.83 LCK (0.59) LCKFYNCYP1A2POLBPOLA1
Propene SCHEMBL27842750 0.81 LCK (0.77) LCKFYNCYP1A2TDP1KDM4E
Ethylene SCHEMBL28826942 0.80 LCK (0.91) LCKFYNCYP1A2TDP1KDM4E
Ethylene SCHEMBL28335521 0.80 LCK (0.91) LCKFYNCYP1A2TDP1KDM4E
SCHEMBL63440 0.80 LCK (1.00) LCKFYNCYP1A2TDP1KDM4E
SCHEMBL31031074 0.80 LCK (1.00) LCKFYNCYP1A2TDP1KDM4E
SCHEMBL14399474 0.80 LCK (0.74) LCKFYNCYP1A2TDP1POLB
Ethylene SCHEMBL7909474 0.79 LCK (0.87) LCKFYNCYP1A2TDP1KDM4E

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
CN-104635441-A Super low melt toner having small molecule plasticizers XEROX CORP 2015-05-20 CN disclosed