SCHEMBL11277372

SCHEMBL11277372

CC(Oc1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-])C(=O)NCCO

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 6/20 0.48
MAPT P10636 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 4/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HEXD Q8WVB3 1/20 0.42
FFAR1 O14842 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL11307826 0.91 HPGD (0.68) TDP1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL30887819 0.90 SMN1; SMN2 (0.65) TDP1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL29397789 0.90 SMN1; SMN2 (0.65) TDP1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL4896998 0.90 SMN1; SMN2 (0.65) TDP1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL133575 0.90 SMN1; SMN2 (0.65) TDP1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL11275752 0.88 MEN1 (0.57) TDP1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL11199661 0.84 TDP1 (0.61) TDP1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL11093245 0.84 TDP1 (0.61) TDP1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL11357300 0.82 TDP1 (0.58) TDP1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL10958959 0.82 TDP1 (0.56) TDP1HPGDSMN1; SMN2LMNAMAPT

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-0011802-B1 PHENOXY-PHENOXY-PROPIONIC ACID AMIDES, PROCESSES FOR THEIR PREPARATION, HERBICIDAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN CONTROLLING THE GROWTH OF WEEDS HOECHST AKTIENGESELLSCHAFT (DE) 1982-09-15 EP claimed
EP-0011802-A1 Phenoxy-phenoxy-propionic acid amides, processes for their preparation, herbicidal compositions containing them and their use in controlling the growth of weeds HOECHST AKTIENGESELLSCHAFT (DE) 1980-06-11 EP claimed
EP-0011802-A1 Phenoxy-phenoxy-propionic acid amides, processes for their preparation, herbicidal compositions containing them and their use in controlling the growth of weeds HOECHST AKTIENGESELLSCHAFT (DE) 1980-06-11 EP disclosed