SCHEMBL6901063

SCHEMBL6901063

CC(C)=NOC(C)C(C)(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.52
ALDH1A1 P00352 4/20 0.52
CYP3A4 P08684 3/20 0.52
MAPT P10636 3/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HPGD P15428 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
TP53 P04637 1/20 0.52
ALOX15 P16050 1/20 0.52
NFKB1 P19838 1/20 0.52
HIF1A Q16665 1/20 0.52
GMNN O75496 1/20 0.52
APEX1 P27695 1/20 0.52
PMP22 Q01453 1/20 0.52
HTT P42858 6/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2C19 P33261 3/20 0.36
CYP2C9 P11712 1/20 0.36
LTB4R Q15722 2/20 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
SCHEMBL10732449 0.88 ALDH1A1 (0.42) CYP1A2ALDH1A1CYP3A4MAPTLMNA
SCHEMBL10981539 0.82 CYP1A2 (0.48) CYP1A2ALDH1A1CYP3A4MAPTLMNA
SCHEMBL10979204 0.82 CYP1A2 (0.48) CYP1A2ALDH1A1CYP3A4MAPTLMNA
SCHEMBL10960096 0.81 CYP1A2 (0.48) CYP1A2ALDH1A1CYP3A4MAPTLMNA
SCHEMBL18580608 0.80 PPARA (0.55) CYP1A2ALDH1A1CYP3A4MAPTLMNA
Propaquizafop SCHEMBL9706927 0.80 LMNA (0.41) CYP1A2ALDH1A1CYP3A4MAPTLMNA
SCHEMBL5613750 0.79 CYP1A2 (0.46) CYP1A2ALDH1A1CYP3A4MAPTLMNA
SCHEMBL1535852 0.79 CYP1A2 (0.46) CYP1A2ALDH1A1CYP3A4MAPTLMNA
SCHEMBL3682630 0.77 CYP1A2 (0.51) CYP1A2ALDH1A1CYP3A4MAPTLMNA
SCHEMBL3682632 0.77 CYP1A2 (0.51) CYP1A2ALDH1A1CYP3A4MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1410715-A1 Combinations of aryloxyphenoxypropionates and safeners and their use for increasing weed control Bayer CropScience GmbH (DE) 2004-04-21 EP disclosed