SCHEMBL7803883

SCHEMBL7803883

COC=C(Oc1ccc(C)cc1C(=O)OCC(F)(F)F)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ELANE P08246 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL7801797 0.87 LMNA (0.38) KMT2AMEN1CYP1A2CYP2C9ALDH1A1
SCHEMBL7801800 0.87 LMNA (0.38) KMT2AMEN1CYP1A2CYP2C9ALDH1A1
SCHEMBL7795827 0.84 SLC6A3 (0.42) KMT2AMEN1NPSR1ELANECYP1A2
SCHEMBL7795824 0.84 SLC6A3 (0.42) KMT2AMEN1NPSR1ELANECYP1A2
SCHEMBL7801759 0.81 CSNK2A1 (0.41) KMT2AMEN1CYP1A2CYP2C9KDM4E
SCHEMBL7801757 0.81 CSNK2A1 (0.41) KMT2AMEN1CYP1A2CYP2C9KDM4E
SCHEMBL7804547 0.78 LMNA (0.42) KMT2AMEN1KDM4EALDH1A1
SCHEMBL7804550 0.78 LMNA (0.42) KMT2AMEN1KDM4EALDH1A1
SCHEMBL7802537 0.78 KLF10 (0.42) KMT2AMEN1KDM4EALDH1A1
SCHEMBL7795845 0.75 SMN1; SMN2 (0.42) KMT2AMEN1CYP1A2KDM4EALDH1A1

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