SCHEMBL11209581

SCHEMBL11209581

CSCOC(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 2/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 2/20 0.41
MCL1 Q07820 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL11451336 0.88 FFAR1 (0.52) FFAR1L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL9492512 0.86 FFAR1 (0.57) FFAR1L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL11207370 0.86 EPHX2 (0.46) L3MBTL1MEN1KMT2ATDP1CYP1A2
SCHEMBL11175672 0.85 FFAR1 (0.56) FFAR1L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL11442337 0.84 FFAR1 (0.55) FFAR1L3MBTL1SMN1; SMN2MEN1KMT2A
Diclofop-Methyl SCHEMBL9139752 0.84 MAPT (0.56) FFAR1L3MBTL1SMN1; SMN2MEN1KMT2A
Diclofop-Methyl SCHEMBL55275 0.84 MAPT (0.56) FFAR1L3MBTL1SMN1; SMN2MEN1KMT2A
Diclofop-Methyl SCHEMBL29446684 0.84 MAPT (0.56) FFAR1L3MBTL1SMN1; SMN2MEN1KMT2A
Diclofop-Methyl SCHEMBL1495949 0.84 MAPT (0.56) FFAR1L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL10964279 0.83 FFAR1 (0.54) FFAR1L3MBTL1SMN1; SMN2MEN1KMT2A

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-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
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