SCHEMBL28879072

SCHEMBL28879072

CCCCCCCCCCCCCCCC(CCNC(=O)c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.62
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
EPHX2 P34913 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
HDAC3 O15379 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
FOLH1 Q04609 2/20 0.46
PRSS1 P07477 1/20 0.46
CTSG P08311 1/20 0.46
CTRB1 P17538 1/20 0.46
CMA1 P23946 1/20 0.46
CA2 P00918 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45

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
SCHEMBL27469108 1.00 NAAA (0.62) NAAAALDH1A1HTTEPHX2L3MBTL1
SCHEMBL27530395 0.84 NAAA (0.64) NAAAALDH1A1HTTL3MBTL1NPC1
SCHEMBL27406374 0.79 NAAA (0.68) NAAAEPHX2L3MBTL1HDAC3SMN1; SMN2
SCHEMBL27406375 0.79 NAAA (0.68) NAAAEPHX2L3MBTL1HDAC3SMN1; SMN2
SCHEMBL27687320 0.79 NAAA (0.68) NAAAEPHX2L3MBTL1HDAC3SMN1; SMN2
SCHEMBL27687297 0.79 NAAA (0.68) NAAAEPHX2L3MBTL1HDAC3SMN1; SMN2
SCHEMBL27619631 0.78 NAAA (0.71) NAAAL3MBTL1HDAC3SMN1; SMN2FOLH1
SCHEMBL8204741 0.78 NAAA (1.00) NAAAALDH1A1HTTL3MBTL1HDAC3
SCHEMBL28927370 0.78 NAAA (1.00) NAAAALDH1A1HTTL3MBTL1HDAC3
SCHEMBL421014 0.78 NAAA (1.00) NAAAALDH1A1HTTL3MBTL1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111851064-A Fluorescent finishing liquid for textiles and preparation method thereof 苏州世韩纺织整理有限公司 2020-10-30 CN claimed
CN-111851064-A Fluorescent finishing liquid for textiles and preparation method thereof 苏州世韩纺织整理有限公司 2020-10-30 CN disclosed
CN-110512426-A A kind of preparation method of water proof fire retardant textile ZHANG YUANTING 2019-11-29 CN disclosed