SCHEMBL7795983

SCHEMBL7795983

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
POLB P06746 3/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 3/20 0.35
GAA P10253 2/20 0.35
ALDH1A1 P00352 2/20 0.35
THRB P10828 1/20 0.35
MEN1 O00255 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP2 O95551 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32

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
SCHEMBL7795985 1.00 KMT2A (0.38) KMT2APOLBLMNARAB9AGAA
SCHEMBL7803850 0.91 LMNA (0.36) KMT2APOLBLMNARAB9AGAA
SCHEMBL7803846 0.91 LMNA (0.36) KMT2APOLBLMNARAB9AGAA
SCHEMBL7801078 0.89 CA12 (0.41) KMT2APOLBRAB9AGAAALDH1A1
SCHEMBL7801079 0.89 CA12 (0.41) KMT2APOLBRAB9AGAAALDH1A1
SCHEMBL7806070 0.87 TSHR (0.39) KMT2APOLBRAB9AGAAALDH1A1
SCHEMBL7806066 0.87 TSHR (0.39) KMT2APOLBRAB9AGAAALDH1A1
SCHEMBL7802497 0.86 NPC1 (0.38) KMT2APOLBLMNARAB9AGAA
SCHEMBL7802498 0.86 NPC1 (0.38) KMT2APOLBLMNARAB9AGAA
SCHEMBL7802571 0.85 KMT2A (0.39) KMT2APOLBLMNARAB9AMEN1

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