SCHEMBL13196459

SCHEMBL13196459

CCOP(=S)(NCCCCCC(=O)O)Oc1nc(Cl)c(Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
MAPK1 P28482 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
ALOX12 P18054 1/20 0.52
ATM Q13315 1/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
FABP4 P15090 4/20 0.35
EGFR P00533 1/20 0.33
FGFR1 P11362 1/20 0.33
PDE4B Q07343 1/20 0.31
PDE4D Q08499 1/20 0.31
POLB P06746 2/20 0.31
SMN1; SMN2 Q16637 1/20 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
SCHEMBL21820799 0.91 TDP1 (0.56) TDP1MAPK1ALDH1A1CYP3A4MAPT
SCHEMBL23909385 0.82 TDP1 (0.47) TDP1MAPK1ALDH1A1CYP3A4MAPT
SCHEMBL21820793 0.78 TDP1 (0.70) TDP1MAPK1ALDH1A1CYP3A4MAPT
Chlorpyrifos SCHEMBL28307061 0.78 TDP1 (0.69) TDP1MAPK1ALDH1A1CYP3A4MAPT
SCHEMBL21820773 0.74 TDP1 (0.46) TDP1MAPK1ALDH1A1CYP3A4MAPT
SCHEMBL23909401 0.73 TDP1 (0.48) TDP1MAPK1ALDH1A1CYP3A4MAPT
SCHEMBL28328185 0.70 TDP1 (0.73) TDP1MAPK1ALDH1A1CYP3A4MAPT
Chlorpyrifos SCHEMBL7908295 0.70 ALDH1A1 (1.00) TDP1MAPK1ALDH1A1CYP3A4MAPT
Chlorpyrifos SCHEMBL21680 0.70 ALDH1A1 (1.00) TDP1MAPK1ALDH1A1CYP3A4MAPT
SCHEMBL23909395 0.69 TDP1 (0.40) TDP1MAPK1ALDH1A1CYP3A4MAPT

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
US-8389296-B2 Assay devices and methods and components for use therein SELECTIVE ANTIBODIES LIMITED (GB) 2013-03-05 US disclosed
US-8389296-B2 Assay devices and methods and components for use therein SELECTIVE ANTIBODIES LIMITED (GB) 2013-03-05 US disclosed
US-20100209295-A1 ASSAY DEVICES AND METHODS AND COMPONENTS FOR USE THEREIN SELECTIVE ANTIBODIES LIMITED (GB) 2010-08-19 US disclosed
US-20100209295-A1 ASSAY DEVICES AND METHODS AND COMPONENTS FOR USE THEREIN SELECTIVE ANTIBODIES LIMITED (GB) 2010-08-19 US disclosed