SCHEMBL7795841

SCHEMBL7795841

CC=C(Oc1ccc(Cl)cc1C(=O)O)C(=S)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
TSHR P16473 1/20 0.47
CFD P00746 2/20 0.43
ALDH1A1 P00352 6/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MYC P01106 1/20 0.40
NR4A1 P22736 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
HPGD P15428 3/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL7795857 0.86 GAA (0.49) GAATSHRCFDALDH1A1MRGPRX4
SCHEMBL7795862 0.86 GAA (0.49) GAATSHRCFDALDH1A1MRGPRX4
SCHEMBL7806098 0.79 MRGPRX4 (0.46) GAATSHRALDH1A1MRGPRX4TP53
SCHEMBL7802582 0.78 GAA (0.47) GAATSHRCFDALDH1A1MRGPRX4
SCHEMBL7802584 0.78 GAA (0.47) GAATSHRCFDALDH1A1MRGPRX4
SCHEMBL329298 0.78 CFD (0.69) GAATSHRCFDALDH1A1MRGPRX4
SCHEMBL7795834 0.76 GAA (0.45) GAATSHRCFDALDH1A1MRGPRX4
SCHEMBL7795836 0.76 GAA (0.45) GAATSHRCFDALDH1A1MRGPRX4
SCHEMBL7801787 0.74 GAA (0.46) GAATSHRCFDALDH1A1MRGPRX4
SCHEMBL7801785 0.74 GAA (0.46) GAATSHRCFDALDH1A1MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1097117-A2 ARYL VINYL ETHER DERIVATIVES AND THEIR USE AS HERBICIDES AVENTIS AGRICULTURE LTD. (GB) 2001-05-09 EP disclosed
WO-2000003975-A2 ARYL VINYL ETHER DERIVATIVES AND THEIR USE AS HERBICIDES AVENTIS AGRICULTURE LTD. (GB) 2000-01-27 WO disclosed