SCHEMBL11275752

SCHEMBL11275752

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
TTR P02766 1/20 0.57
PPOX P50336 1/20 0.57
FFAR1 O14842 3/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 4/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 2/20 0.39
CCR6 P51684 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
RAB9A P51151 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL11287746 0.92 MEN1 (0.55) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11285233 0.92 MEN1 (0.55) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11277372 0.88 TDP1 (0.56) MEN1KMT2ATDP1FFAR1SMN1; SMN2
SCHEMBL11087944 0.86 TDP1 (0.53) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9198781 0.86 MEN1 (0.63) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9201395 0.85 TDP1 (0.68) MEN1KMT2ATDP1TTRPPOX
SCHEMBL7818103 0.85 MEN1 (0.65) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11193498 0.85 MEN1 (0.52) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11138398 0.85 TDP1 (0.58) MEN1KMT2ATDP1TTRPPOX
Hydrochloric Acid SCHEMBL7818106 0.85 TDP1 (0.67) MEN1KMT2ATDP1TTRPPOX

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-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