SCHEMBL7801787

SCHEMBL7801787

CCOC=C(Oc1ccc(Cl)cc1C(=O)O)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
TSHR P16473 2/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 4/20 0.43
MRGPRX4 Q96LA9 1/20 0.41
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TP53 P04637 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MYC P01106 1/20 0.37
NR4A1 P22736 1/20 0.37

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
SCHEMBL7801785 1.00 GAA (0.46) GAATSHRLMNAALDH1A1MRGPRX4
SCHEMBL7802582 0.87 GAA (0.47) GAATSHRLMNAALDH1A1MRGPRX4
SCHEMBL7802584 0.87 GAA (0.47) GAATSHRLMNAALDH1A1MRGPRX4
SCHEMBL7795823 0.87 MAPT (0.44) GAATSHRLMNAALDH1A1MRGPRX4
SCHEMBL7804596 0.86 TSHR (0.43) GAATSHRLMNAALDH1A1MRGPRX4
SCHEMBL7795862 0.84 GAA (0.49) GAATSHRLMNAALDH1A1MRGPRX4
SCHEMBL7795857 0.84 GAA (0.49) GAATSHRLMNAALDH1A1MRGPRX4
SCHEMBL7795836 0.80 GAA (0.45) GAATSHRLMNAALDH1A1MRGPRX4
SCHEMBL7795834 0.80 GAA (0.45) GAATSHRLMNAALDH1A1MRGPRX4
SCHEMBL7804547 0.80 LMNA (0.42) GAALMNAALDH1A1KDM4EMEN1

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