SCHEMBL7802568

SCHEMBL7802568

CO/C=C(/Oc1cccc(F)c1C(=O)OCc1ccccc1)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.39
MEN1 O00255 3/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
NPC1 O15118 3/20 0.38
RORC P51449 1/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
MMP12 P39900 2/20 0.38
MMP1 P03956 1/20 0.38
RAB9A P51151 3/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 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
SCHEMBL7802571 1.00 KMT2A (0.39) KMT2AMEN1POLBTDP1SLC6A2
SCHEMBL7754319 0.92 KMT2A (0.44) KMT2AMEN1POLBTDP1SLC6A2
SCHEMBL7754320 0.92 KMT2A (0.44) KMT2AMEN1POLBTDP1SLC6A2
SCHEMBL7802564 0.88 KMT2A (0.37) KMT2AMEN1TDP1SLC6A2SLC6A3
SCHEMBL7802562 0.88 KMT2A (0.37) KMT2AMEN1TDP1SLC6A2SLC6A3
SCHEMBL7801079 0.86 CA12 (0.41) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL7801078 0.86 CA12 (0.41) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL7795983 0.85 KMT2A (0.38) KMT2AMEN1POLBTDP1RAB9A
SCHEMBL7795985 0.85 KMT2A (0.38) KMT2AMEN1POLBTDP1RAB9A
SCHEMBL7806066 0.84 TSHR (0.39) KMT2APOLBNPC1RAB9A

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