SCHEMBL11567930

SCHEMBL11567930

CCCOC(C)Oc1ccc(NC(=O)C2(CC)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.43
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 7/20 0.39
POLB P06746 3/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EGFR P00533 2/20 0.36
PDK1 Q15118 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GLA P06280 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL11567925 0.83 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL11440608 0.81 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL11562231 0.77 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL11563225 0.75 MAPT (0.52) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL11567211 0.75 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL11568228 0.74 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL11440605 0.74 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL11440301 0.73 MAPT (0.47) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL11567217 0.70 MAPT (0.41) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL11440582 0.69 MEN1 (0.40) ALDH1A1MEN1KMT2ALMNAMAPT

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
US-4166735-A Cycloalkanecarboxanilide derivative herbicides SHELL OIL COMPANY (US) 1979-09-04 US disclosed