SCHEMBL9064496

SCHEMBL9064496

CC(C)CCC(C)N(N=O)c1ccccc1N(N=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
POLB P06746 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7769399 0.85 ALDH1A1 (0.52) ALDH1A1ALOX15CHRNB2CHRNB4CHRNA3
SCHEMBL7765528 0.74 ALDH1A1 (0.30) ALDH1A1
SCHEMBL7770599 0.72 ALDH1A1 (0.53) ALDH1A1ALOX15CHRNB2CHRNB4CHRNA3
SCHEMBL28346018 0.69 ALDH1A1 (0.64) ALDH1A1ALOX15MAPTPOLBL3MBTL1
SCHEMBL7773457 0.68 ALDH1A1 (0.63) ALDH1A1ALOX15MAPTNPC1RAB9A
SCHEMBL11506192 0.68 ALDH1A1 (0.61) ALDH1A1ALOX15MAPTNPC1RAB9A
SCHEMBL11467763 0.67 AOC3 (0.40) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6684313 0.67
SCHEMBL3916108 0.66 ALDH1A1 (1.00) ALDH1A1ALOX15MAPTNPC1RAB9A
SCHEMBL80329 0.66 ALDH1A1 (1.00) ALDH1A1ALOX15MAPTNPC1RAB9A

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
EP-0522709-B1 Polymerization inhibitors for acrylic acids and esters UNIROYAL CHEM CO INC (US) 1996-08-21 EP claimed