SCHEMBL7804579

SCHEMBL7804579

CO/C=C(/Oc1ccc(Cl)cc1C(=O)OCc1ccccc1)C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PTGER1 P34995 1/20 0.42
POLB P06746 2/20 0.40
DHODH Q02127 2/20 0.40
KCNA3 P22001 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GCGR P47871 1/20 0.39
LRRK2 Q5S007 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 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
SCHEMBL7804581 1.00 KMT2A (0.45) KMT2AL3MBTL1MEN1ALDH1A1CYP3A4
SCHEMBL7801131 0.87 ALDH1A1 (0.49) KMT2AL3MBTL1MEN1ALDH1A1CYP3A4
SCHEMBL7801127 0.87 ALDH1A1 (0.49) KMT2AL3MBTL1MEN1ALDH1A1CYP3A4
SCHEMBL7804550 0.85 LMNA (0.42) KMT2AL3MBTL1MEN1ALDH1A1TDP1
SCHEMBL7804547 0.85 LMNA (0.42) KMT2AL3MBTL1MEN1ALDH1A1TDP1
SCHEMBL7806056 0.85 HPGD (0.43) KMT2AL3MBTL1MEN1ALDH1A1CYP1A2
SCHEMBL7806058 0.85 HPGD (0.43) KMT2AL3MBTL1MEN1ALDH1A1CYP1A2
SCHEMBL7801805 0.84 LMNA (0.39) KMT2AL3MBTL1MEN1ALDH1A1TDP1
SCHEMBL7801802 0.84 LMNA (0.39) KMT2AL3MBTL1MEN1ALDH1A1TDP1
SCHEMBL7805468 0.84 ABL1 (0.46) KMT2AMEN1ALDH1A1TDP1

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