SCHEMBL7795845

SCHEMBL7795845

CO/C=C(/Oc1ccc(F)cc1C(=O)OC)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 3/20 0.40
POLB P06746 2/20 0.40
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
PAX8 Q06710 1/20 0.39
SLC6A3 Q01959 2/20 0.38
SLC6A4 P31645 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
PDK2 Q15119 1/20 0.37
EPAS1 Q99814 1/20 0.36
CYP1A2 P05177 2/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 2/20 0.35

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
SCHEMBL7795848 1.00 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1HPGDGAAKMT2A
SCHEMBL7802483 0.89 KDM4E (0.40) SMN1; SMN2ALDH1A1HPGDGAAKMT2A
SCHEMBL7802480 0.89 KDM4E (0.40) SMN1; SMN2ALDH1A1HPGDGAAKMT2A
SCHEMBL7802593 0.85 HSD17B10 (0.50) SMN1; SMN2ALDH1A1GAAKMT2AMEN1
SCHEMBL7802590 0.85 HSD17B10 (0.50) SMN1; SMN2ALDH1A1GAAKMT2AMEN1
SCHEMBL7801758 0.84 MAPT (0.39) SMN1; SMN2ALDH1A1HPGDGAAKMT2A
SCHEMBL7801761 0.84 MAPT (0.39) SMN1; SMN2ALDH1A1HPGDGAAKMT2A
SCHEMBL7805464 0.84 ABL1 (0.46) ALDH1A1HPGDKMT2AMEN1MAPT
SCHEMBL7805468 0.84 ABL1 (0.46) ALDH1A1HPGDKMT2AMEN1MAPT
SCHEMBL7801742 0.84 KDM4E (0.47) ALDH1A1GAAKMT2AMEN1MAPT

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