SCHEMBL7801788

SCHEMBL7801788

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
AKR1C3 P42330 6/20 0.44
AKR1C2 P52895 6/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
MAPT P10636 4/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.42
GFER P55789 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
KLF5 Q13887 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41

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
SCHEMBL7803835 1.00 POLB (0.51) POLBKDM4EALDH1A1SMN1; SMN2AKR1C3
SCHEMBL7801744 0.89 KDM4E (0.47) POLBKDM4EALDH1A1KMT2AMEN1
SCHEMBL7801742 0.89 KDM4E (0.47) POLBKDM4EALDH1A1KMT2AMEN1
SCHEMBL7801833 0.86 POLB (0.44) POLBKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL7801834 0.86 POLB (0.44) POLBKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL7801759 0.85 CSNK2A1 (0.41) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL7801757 0.85 CSNK2A1 (0.41) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL7802483 0.84 KDM4E (0.40) POLBKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL7802480 0.84 KDM4E (0.40) POLBKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL7795789 0.84 CFD (0.40) POLBKDM4EALDH1A1MAPTHPGD

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