SCHEMBL9750600

SCHEMBL9750600

CCOC(=O)C(=O)C(Cl)c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
GAA P10253 2/20 0.47
KYAT1 Q16773 1/20 0.44
GPR35 Q9HC97 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
XPO1 O14980 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PTGS2 P35354 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP3A4 P08684 1/20 0.39
GRM5 P41594 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL3900032 0.84 KYAT1 (0.46) MAPTGAAKYAT1GPR35TRPV1
SCHEMBL271270 0.83 HPGD (0.41) NPC1ALDH1A1MEN1KMT2A
SCHEMBL3315040 0.83 MEN1 (0.49) MAPTGAANPC1ALDH1A1MEN1
SCHEMBL9585644 0.81 MAPT (0.43) MAPTGAAKYAT1GPR35TRPV1
SCHEMBL9052329 0.78 MMP8 (0.50) MAPTGAATRPV1NPC1ALDH1A1
SCHEMBL23461767 0.77 GAA (0.45) MAPTGAAKYAT1TRPV1XPO1
SCHEMBL15918132 0.77 CASP1 (0.59) MAPTGAAKYAT1GPR35TRPV1
SCHEMBL29888742 0.77 GAA (0.45) MAPTGAAKYAT1TRPV1XPO1
SCHEMBL16322386 0.77 PSEN1 (0.49) MAPTGAATRPV1NPC1ALDH1A1
SCHEMBL28825411 0.77 MAPT (0.44) MAPTGAATRPV1NPC1ALDH1A1

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
US-5000775-A 2-amino-4,5-disubstituted-oxazole/thiazole compounds as herbicide antidotes MONSANTO COMPANY (US) 1991-03-19 US disclosed