SCHEMBL7803901

SCHEMBL7803901

CO/C=C(/Oc1ccccc1C(=O)OCC(=O)c1ccc(C#N)cc1)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.44
KMT2A Q03164 3/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
HPGD P15428 2/20 0.37
SLC6A3 Q01959 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL7803907 1.00 NPC1 (0.48) NPC1RAB9AL3MBTL1KMT2ACYP11B1
SCHEMBL7795956 0.88 NPC1 (0.52) NPC1RAB9AL3MBTL1KMT2AALDH1A1
SCHEMBL7795952 0.88 NPC1 (0.52) NPC1RAB9AL3MBTL1KMT2AALDH1A1
SCHEMBL7795874 0.88 NPC1 (0.55) NPC1RAB9AL3MBTL1KMT2AALDH1A1
SCHEMBL7801087 0.88 NPC1 (0.52) NPC1RAB9AL3MBTL1KMT2AALDH1A1
SCHEMBL7795871 0.88 NPC1 (0.55) NPC1RAB9AL3MBTL1KMT2AALDH1A1
SCHEMBL7801090 0.88 NPC1 (0.52) NPC1RAB9AL3MBTL1KMT2AALDH1A1
SCHEMBL7803857 0.83 KMT2A (0.54) NPC1RAB9AKMT2AALDH1A1HTT
SCHEMBL7803856 0.83 KMT2A (0.54) NPC1RAB9AKMT2AALDH1A1HTT
SCHEMBL7803813 0.82 NPC1 (0.46) NPC1RAB9AL3MBTL1KMT2AALDH1A1

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