SCHEMBL7795823

SCHEMBL7795823

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
LMNA P02545 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 2/20 0.40
TSHR P16473 2/20 0.40
MRGPRX4 Q96LA9 2/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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 0.87 GAA (0.46) MAPTLMNATDP1SMN1; SMN2L3MBTL1
SCHEMBL7801787 0.87 GAA (0.46) MAPTLMNATDP1SMN1; SMN2L3MBTL1
SCHEMBL7802582 0.80 GAA (0.47) MAPTLMNATDP1L3MBTL1GAA
SCHEMBL7802584 0.80 GAA (0.47) MAPTLMNATDP1L3MBTL1GAA
SCHEMBL7804596 0.79 TSHR (0.43) LMNATDP1GAATSHRMRGPRX4
SCHEMBL7795857 0.77 GAA (0.49) MAPTLMNATDP1SMN1; SMN2L3MBTL1
SCHEMBL7795862 0.77 GAA (0.49) MAPTLMNATDP1SMN1; SMN2L3MBTL1
SCHEMBL7804547 0.77 LMNA (0.42) MAPTLMNATDP1L3MBTL1GAA
SCHEMBL7804550 0.77 LMNA (0.42) MAPTLMNATDP1L3MBTL1GAA
SCHEMBL7802408 0.74 ALDH1A1 (0.45) TDP1L3MBTL1GAATSHRMRGPRX4

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