SCHEMBL28047808

SCHEMBL28047808

CC(=NO)c1ccccc1.CC(C)(C)c1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
TYR P14679 1/20 0.55
ESRRG P62508 4/20 0.53
ESR1 P03372 4/20 0.48
ESR2 Q92731 3/20 0.48
CYP3A4 P08684 2/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CA9 Q16790 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 1/20 0.42
TNF P01375 1/20 0.41
KLF5 Q13887 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
Tert-Butylbenzene SCHEMBL28252414 0.89 LMNA (0.44) LMNAESRRGPOLBMAPK1MEN1
SCHEMBL4833241 0.83 CA9 (0.55) LMNATYRESRRGALDH1A1POLB
SCHEMBL4833231 0.83 CA9 (0.55) LMNATYRESRRGALDH1A1POLB
Phenol SCHEMBL875409 0.79 LMNA (0.80) LMNATYRESRRGESR1ESR2
Phenol SCHEMBL28166105 0.79 LMNA (0.80) LMNATYRESRRGESR1ESR2
SCHEMBL257242 0.79 LMNA (0.52) LMNAALDH1A1POLBMAPK1CA9
SCHEMBL2736631 0.79 LMNA (0.52) LMNAALDH1A1POLBMAPK1CA9
Benzene SCHEMBL28280701 0.79 LMNA (0.52) LMNAALDH1A1POLBMAPK1CA9
SCHEMBL45278 0.79 LMNA (0.52) LMNAALDH1A1POLBMAPK1CA9
SCHEMBL11235227 0.77 LMNA (0.50) LMNAALDH1A1POLBMAPK1CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103920530-B The preparation method of 2-hydroxyl-5-alkylacetophenone oxime and used catalyst SICHUAN ZHIJIANG ADVANCED MATERIALS CO., LTD. (CN) 2015-12-09 CN claimed
CN-103920530-B The preparation method of 2-hydroxyl-5-alkylacetophenone oxime and used catalyst SICHUAN ZHIJIANG ADVANCED MATERIALS CO., LTD. (CN) 2015-12-09 CN disclosed