SCHEMBL11207455

SCHEMBL11207455

CC(C)(C)OC(=NO)c1ccccc1C(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.49
ELANE P08246 3/20 0.48
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CDC25B P30305 1/20 0.40
ATM Q13315 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.40
NR4A1 P22736 1/20 0.39
ABCB1 P08183 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
MYC P01106 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
SCHEMBL10418402 0.80 AKR1C3 (0.55) AKR1C3ELANEMAPTGAAALDH1A1
SCHEMBL10361994 0.79 GAA (0.44) ELANEMAPTGAAALDH1A1HSD17B10
SCHEMBL11207345 0.78 AKR1C3 (0.49) AKR1C3MAPTGAAALDH1A1HSD17B10
SCHEMBL11146578 0.78 AKR1C3 (0.52) AKR1C3ELANEMAPTGAAALDH1A1
SCHEMBL11149732 0.75 TSHR (0.54) AKR1C3ALDH1A1HSD17B10CDC25BTSHR
SCHEMBL11210728 0.74 AKR1C3 (0.47) AKR1C3MAPTGAAALDH1A1HSD17B10
SCHEMBL29447165 0.73 AKR1C3 (0.85) AKR1C3MAPTGAAALDH1A1HSD17B10
SCHEMBL700595 0.73 AKR1C3 (0.85) AKR1C3MAPTGAAALDH1A1HSD17B10
SCHEMBL9502647 0.73 AKR1C3 (0.59) AKR1C3ELANEMAPTGAAALDH1A1
SCHEMBL14330484 0.72 ELANE (0.68) AKR1C3ELANEMAPTGAAALDH1A1

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
EP-0035291-B1 PROCESS FOR CARRYING OUT RADICAL REACTIONS AND SHAPED ARTICLES OF THE REACTION PRODUCT AKZO N.V. (NL) 1983-05-11 EP disclosed
US-4347342-A Process for initiating radical reactions employing hydroximic acid derivatives AKZONA INCORPORATED (US) 1982-08-31 US disclosed