SCHEMBL6880404

SCHEMBL6880404

COC[C@H](C)N(C(=O)CCl)c1c(C)cccc1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.67
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 1/20 0.47
TP53 P04637 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP3A4 P08684 1/20 0.46
LMNA P02545 1/20 0.45
HTT P42858 2/20 0.39
PLA2G1B P04054 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
RORC P51449 1/20 0.39
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NR1I2 O75469 1/20 0.37
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL6880410 1.00 THRB (0.67) THRBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10622865 0.93 THRB (0.60) THRBALDH1A1SMN1; SMN2MEN1KMT2A
Metolachor SCHEMBL338302 0.92 ALDH1A1 (0.59) THRBALDH1A1SMN1; SMN2MEN1KMT2A
Metolachor SCHEMBL29397526 0.92 ALDH1A1 (0.59) THRBALDH1A1SMN1; SMN2MEN1KMT2A
Metolachor SCHEMBL29357706 0.92 ALDH1A1 (0.59) THRBALDH1A1SMN1; SMN2MEN1KMT2A
S-Metolachlor SCHEMBL118065 0.92 ALDH1A1 (0.59) THRBALDH1A1SMN1; SMN2MEN1KMT2A
Metolachor SCHEMBL21385 0.92 ALDH1A1 (0.59) THRBALDH1A1SMN1; SMN2MEN1KMT2A
S-Metolachlor SCHEMBL31170483 0.92 ALDH1A1 (0.59) THRBALDH1A1SMN1; SMN2MEN1KMT2A
Metolachor SCHEMBL18115413 0.92 ALDH1A1 (0.59) THRBALDH1A1SMN1; SMN2MEN1KMT2A
Metolachor SCHEMBL8190790 0.92 ALDH1A1 (0.59) THRBALDH1A1SMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4919709-A USING OPTICALLY ACTIVE ISOMER TO SELECTIVELY COMPAT WEEBS IN RICE CROPS UNDER FLOODED CONDITIONS CIBA-GEIGY CORPORATION (US) 1990-04-24 US claimed
EP-0115470-B1 OPTICALLY ACTIVE N-(1'-METHYL-2'-METHOXYMETHYL)-N-CHLORACETYL-2,6-DIMETHYLANILINE AS HERBICIDE CIBA-GEIGY AG (CH) 1986-12-17 EP claimed
EP-0115470-A1 Optically active N-(1'-methyl-2'-methoxymethyl)-N-chloracetyl-2,6-dimethylaniline as herbicide CIBA-GEIGY AG (CH) 1984-08-08 EP claimed
US-6822118-B1 CATALYTIC REACTION USING IRIDIUM COMPOUND UNDER HIGH PRESSURE IN PRESENCE OF METAL- OR AMMONIUM- CHLORIDE, BROMIDE, OR IODIDE AND ACID SYNGENTA CROP PROTECTION, INC. 2004-11-23 US disclosed
EP-0691949-B1 PROCESS FOR THE HYDROGENATION OF IMINES CIBA GEIGY AG (CH) 1998-10-14 EP disclosed
EP-0691949-A1 PROCESS FOR THE HYDROGENATION OF IMINES Novartis AG (CH) 1996-01-17 EP disclosed
WO-1995021151-A1 PROCESS FOR THE HYDROGENATION OF IMINES CIBA-GEIGY AG (CH) 1995-08-10 WO disclosed
EP-0115470-B1 OPTICALLY ACTIVE N-(1'-METHYL-2'-METHOXYMETHYL)-N-CHLORACETYL-2,6-DIMETHYLANILINE AS HERBICIDE CIBA-GEIGY AG (CH) 1986-12-17 EP disclosed
EP-0115470-A1 Optically active N-(1'-methyl-2'-methoxymethyl)-N-chloracetyl-2,6-dimethylaniline as herbicide CIBA-GEIGY AG (CH) 1984-08-08 EP disclosed
EP-0115470-A1 Optically active N-(1'-methyl-2'-methoxymethyl)-N-chloracetyl-2,6-dimethylaniline as herbicide CIBA-GEIGY AG (CH) 1984-08-08 EP disclosed