SCHEMBL28120168

SCHEMBL28120168

CC(C)(Cl)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPB1 P04792 1/20 0.47
▸ HSD17B10 Q99714 4/20 0.47
▸ ACHE P22303 2/20 0.47
▸ ALDH1A1 P00352 5/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CA1 P00915 3/20 0.46
▸ CA2 P00918 3/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CES2 O00748 1/20 0.46
▸ CES1 P23141 1/20 0.46
▸ BCL9 O00512 1/20 0.44
▸ CTNNB1 P35222 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ BCHE P06276 1/20 0.44

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
SCHEMBL2733042 0.86 HSD17B10 (0.52) HSPB1HSD17B10ACHEALDH1A1CYP3A4
SCHEMBL10513221 0.84 HSPB1 (0.50) HSPB1HSD17B10ACHEALDH1A1CYP3A4
SCHEMBL11496773 0.84 HSPB1 (0.50) HSPB1HSD17B10ACHEALDH1A1CYP3A4
SCHEMBL29725091 0.81 PPARD (0.48) ALDH1A1CYP3A4MAPK1GAASMN1; SMN2
SCHEMBL15388537 0.81 HSPB1 (0.52) HSPB1HSD17B10ACHEALDH1A1CYP3A4
SCHEMBL10912860 0.81 HSPB1 (0.52) HSPB1HSD17B10ACHEALDH1A1CYP3A4
SCHEMBL27842046 0.79 TSHR (0.52) ACHEALDH1A1LMNATSHR
SCHEMBL11223794 0.78 PPARA (0.41) ACHEALDH1A1CYP3A4MAPK1LMNA
SCHEMBL12506338 0.78 ALDH1A1 (0.47) HSPB1HSD17B10ACHEALDH1A1CYP3A4
SCHEMBL19557516 0.78 CA1 (0.49) HSPB1HSD17B10ACHEALDH1A1CYP3A4

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-106336385-A Oxadiazon synthesis method 江苏丰华化学工业有限公司 2017-01-18 — — CN disclosed
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