SCHEMBL7795857

SCHEMBL7795857

C/C=C(\Oc1ccc(Cl)cc1C(=O)O)C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 6/20 0.44
TP53 P04637 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MYC P01106 1/20 0.42
NR4A1 P22736 1/20 0.42
CFD P00746 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
HPGD P15428 4/20 0.41

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
SCHEMBL7795862 1.00 GAA (0.49) GAATSHRALDH1A1TP53KDM4E
SCHEMBL7802582 0.89 GAA (0.47) GAATSHRALDH1A1TP53KDM4E
SCHEMBL7802584 0.89 GAA (0.47) GAATSHRALDH1A1TP53KDM4E
SCHEMBL7795834 0.87 GAA (0.45) GAATSHRALDH1A1TP53KDM4E
SCHEMBL7795836 0.87 GAA (0.45) GAATSHRALDH1A1TP53KDM4E
SCHEMBL7795841 0.86 GAA (0.47) GAATSHRALDH1A1TP53KDM4E
SCHEMBL7801785 0.84 GAA (0.46) GAATSHRALDH1A1TP53KDM4E
SCHEMBL7801787 0.84 GAA (0.46) GAATSHRALDH1A1TP53KDM4E
SCHEMBL7803914 0.83 LMNA (0.39) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL7803918 0.83 LMNA (0.39) ALDH1A1KDM4ELMNAMEN1KMT2A

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