SCHEMBL11209528

SCHEMBL11209528

CSCOC(=O)C(C)Oc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
LMNA P02545 4/20 0.48
HTR2A P28223 1/20 0.47
MAPT P10636 4/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 3/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MYOC Q99972 1/20 0.45
HTT P42858 2/20 0.44
SRD5A2 P31213 1/20 0.44
HSPB1 P04792 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.41
BCL9 O00512 1/20 0.41
CTNNB1 P35222 1/20 0.41
MITF O75030 1/20 0.40
AGTR1 P30556 1/20 0.40

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
SCHEMBL9365950 0.82 HTR2A (0.55) MEN1KMT2ALMNAHTR2AMAPT
SCHEMBL830301 0.82 LMNA (0.56) MEN1KMT2ALMNAHTR2AMAPT
SCHEMBL11212430 0.81 LMNA (0.43) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL11207370 0.81 EPHX2 (0.46) MEN1KMT2AMAPTGAATDP1
SCHEMBL11249258 0.81 ALDH1A1 (0.49) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL655938 0.81 MAPT (0.58) MEN1KMT2ALMNAHTR2AMAPT
SCHEMBL10872159 0.79 MEN1 (0.56) MEN1KMT2ALMNAHTR2AMAPT
SCHEMBL831079 0.79 LMNA (0.52) MEN1KMT2ALMNAHTR2AMAPT
SCHEMBL16261809 0.79 LMNA (0.52) MEN1KMT2ALMNAHTR2AMAPT
Hydrochloric Acid SCHEMBL9362711 0.78 MEN1 (0.54) MEN1KMT2ALMNAHTR2AMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0030702-B1 PROPIONIC-ACID ESTERS, PREPARATION OF THESE COMPOUNDS, HERBICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, USE OF SUCH COMPOUNDS AND AGENTS AS HERBICIDES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-08-24 EP disclosed
US-4329488-A Propionic acid esters and herbicidal use thereof HOFFMANN-LA ROCHE INC. (US) 1982-05-11 US disclosed
EP-0030702-A1 Propionic-acid esters, preparation of these compounds, herbicides containing them as active ingredients, use of such compounds and agents as herbicides F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-06-24 EP disclosed