SCHEMBL7775748

SCHEMBL7775748

CC(=O)CCCCCCCCCCCCCCc1ccc(N(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 2/20 0.49
NPC1 O15118 1/20 0.49
ALOX15 P16050 1/20 0.49
NFKB1 P19838 1/20 0.49
RAB9A P51151 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
MCL1 Q07820 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CHKA P35790 2/20 0.47
ALOX5 P09917 1/20 0.46
HDAC1 Q13547 9/20 0.45
HDAC6 Q9UBN7 8/20 0.45
HDAC3 O15379 7/20 0.45
HDAC4 P56524 7/20 0.45
HDAC7 Q8WUI4 7/20 0.45
HDAC2 Q92769 7/20 0.45
HDAC10 Q969S8 7/20 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
SCHEMBL5702986 0.93 ALDH1A1 (0.55) ALDH1A1MAPTMAPK1NPC1ALOX15
SCHEMBL8136098 0.85 ALDH1A1 (0.59) ALDH1A1MAPTMAPK1NPC1ALOX15
SCHEMBL9763063 0.85 HDAC1 (0.50) ALDH1A1MAPTMAPK1NPC1ALOX15
SCHEMBL12889787 0.82 HDAC1 (0.65) ALOX5HDAC1HDAC6HDAC3HDAC4
SCHEMBL5539893 0.80 MAPT (0.48) ALDH1A1MAPTALOX5HDAC1HDAC6
SCHEMBL5537458 0.80 ACHE (0.60) ALDH1A1MAPTALOX15RXFP1FAAH
SCHEMBL5035009 0.80 NAAA (0.52) ALDH1A1MAPTALOX15ALOX5HDAC1
SCHEMBL11639832 0.80 NAAA (0.52) ALDH1A1MAPTALOX15ALOX5HDAC1
SCHEMBL4383632 0.80 ACHE (0.60) ALDH1A1MAPTALOX15RXFP1FAAH
SCHEMBL5537456 0.80 MAPT (0.48) ALDH1A1MAPTALOX5HDAC1HDAC6

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-0830676-B1 DIGITAL INFORMATION RECORDING MEDIA AND METHOD OF USING SAME KIMBERLY CLARK CO (US) 2001-08-16 EP claimed