SCHEMBL11114792

SCHEMBL11114792

CC(Oc1ccc(Oc2cnc3cc(Cl)c(Cl)cc3n2)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
MAPT P10636 3/20 0.62
CYP1A2 P05177 3/20 0.62
HPGD P15428 2/20 0.62
NPSR1 Q6W5P4 2/20 0.62
CYP3A4 P08684 2/20 0.62
LMNA P02545 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
TP53 P04637 1/20 0.62
ALOX15 P16050 1/20 0.62
NFKB1 P19838 1/20 0.62
HIF1A Q16665 1/20 0.62
GMNN O75496 1/20 0.62
APEX1 P27695 1/20 0.62
PMP22 Q01453 1/20 0.62
MAP4K4 O95819 2/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 6/20 0.43

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
Hydrochloric Acid SCHEMBL10951561 0.99 ALDH1A1 (0.61) ALDH1A1MAPTCYP1A2HPGDNPSR1
SCHEMBL10709969 0.90 ALDH1A1 (0.62) ALDH1A1MAPTCYP1A2HPGDNPSR1
SCHEMBL10882047 0.88 MAPT (0.60) ALDH1A1MAPTCYP1A2HPGDNPSR1
R(+)Xk469 SCHEMBL31494114 0.88 ALDH1A1 (0.80) ALDH1A1MAPTCYP1A2HPGDNPSR1
Quizalofop SCHEMBL19210826 0.88 ALDH1A1 (0.72) ALDH1A1MAPTCYP1A2HPGDNPSR1
Quizalofop SCHEMBL111413 0.88 ALDH1A1 (0.72) ALDH1A1MAPTCYP1A2HPGDNPSR1
R(+)Xk469 SCHEMBL1958606 0.88 ALDH1A1 (0.80) ALDH1A1MAPTCYP1A2HPGDNPSR1
R(+)Xk469 SCHEMBL10261981 0.88 ALDH1A1 (0.80) ALDH1A1MAPTCYP1A2HPGDNPSR1
R(+)Xk469 SCHEMBL30064428 0.88 ALDH1A1 (0.80) ALDH1A1MAPTCYP1A2HPGDNPSR1
Quizalofop SCHEMBL1010164 0.88 ALDH1A1 (0.72) ALDH1A1MAPTCYP1A2HPGDNPSR1

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-0109483-A1 Substituted phenoxyalkane diones, intermediates for these compounds and the use of phenoxyalkane diones in the control of weeds ZOECON CORPORATION (US) 1984-05-30 EP disclosed