SCHEMBL11212430

SCHEMBL11212430

CSCOC(=O)C(C)Oc1ccc(Oc2ccc(Br)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
KMT2A Q03164 3/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 2/20 0.42
LDHA P00338 1/20 0.41
L3MBTL1 Q9Y468 5/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.39
CRHBP P24387 1/20 0.39
MAPK1 P28482 1/20 0.39
CRHR2 Q13324 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.38
SRD5A2 P31213 1/20 0.38

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
SCHEMBL11249258 0.86 ALDH1A1 (0.49) LMNATDP1KMT2AGAAMEN1
SCHEMBL11207370 0.86 EPHX2 (0.46) TDP1KMT2AGAAMEN1L3MBTL1
SCHEMBL11158149 0.84 LMNA (0.56) LMNATDP1KMT2AGAAMEN1
SCHEMBL11235870 0.82 IDH1 (0.43) LMNAKMT2AMEN1L3MBTL1
SCHEMBL11209528 0.81 MEN1 (0.48) LMNATDP1KMT2AGAAMEN1
SCHEMBL11205887 0.80 LMNA (0.40) LMNATDP1KMT2AGAAMEN1
SCHEMBL11208999 0.79 LMNA (0.42) LMNATDP1KMT2AGAAMEN1
SCHEMBL31053227 0.79 LMNA (0.60) LMNATDP1KMT2AGAAMEN1
SCHEMBL10979352 0.79 LMNA (0.60) LMNATDP1KMT2AGAAMEN1
SCHEMBL10871441 0.77 LDHA (0.59) LMNATDP1GAALDHAL3MBTL1

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