SCHEMBL11567925

SCHEMBL11567925

CCC1(C(=O)Nc2ccc(OCCOC(C)C)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
MAPT P10636 10/20 0.43
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
POLB P06746 4/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 3/20 0.41
CTDSP1 Q9GZU7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 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
SCHEMBL11567930 0.83 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL11562231 0.82 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL11567211 0.80 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL11563225 0.78 MAPT (0.52) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL11568228 0.77 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL11440608 0.76 ALDH1A1 (0.36) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL11415053 0.74 HTT (0.59) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL11440301 0.73 MAPT (0.47) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL11567217 0.73 MAPT (0.41) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL11407994 0.71 HTT (0.58) ALDH1A1MAPTMEN1KMT2APOLB

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