SCHEMBL28203340

SCHEMBL28203340

CC(C)(C)OC(N)=O.Cc1cc([N+](=O)[O-])ccc1C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
LMNA P02545 4/20 0.47
GAA P10253 3/20 0.47
POLB P06746 4/20 0.47
MAPT P10636 4/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CES2 O00748 2/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
CES1 P23141 1/20 0.43
PAX8 Q06710 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42

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
SCHEMBL28090586 0.86 MAPK1 (0.57) ALDH1A1LMNAGAAPOLBMAPT
Acetamide SCHEMBL27567357 0.86 ALDH1A1 (0.51) ALDH1A1LMNAGAAPOLBMAPT
SCHEMBL27405553 0.86 ALDH1A1 (0.56) ALDH1A1LMNAGAAPOLBMAPT
SCHEMBL27877832 0.85 LMNA (0.49) ALDH1A1LMNAGAAPOLBMAPT
Methyl Alcohol SCHEMBL28251314 0.85 ALDH1A1 (0.55) ALDH1A1LMNAGAAPOLBMAPT
Urethane SCHEMBL27620983 0.85 MAPT (0.52) ALDH1A1LMNAGAAPOLBMAPT
SCHEMBL28090568 0.83 TSHR (0.55) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL28755010 0.82 MAPT (0.47) ALDH1A1LMNAGAAPOLBMAPT
SCHEMBL27742962 0.80 ALDH1A1 (0.50) ALDH1A1LMNAGAAPOLBMAPT
SCHEMBL28203054 0.80 MAPK1 (0.55) ALDH1A1GAAPOLBMAPTSMN1; SMN2

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
CN-107734969-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2018-02-23 CN disclosed