SCHEMBL6232042

SCHEMBL6232042

NC(=O)c1ccccc1C(=O)NCCCCCCC(=O)OO

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
HCRTR1 O43613 1/20 0.50
HDAC3 O15379 8/20 0.48
HDAC1 Q13547 8/20 0.48
ALOX5 P09917 1/20 0.48
NAAA Q02083 1/20 0.47

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
SCHEMBL6232594 1.00 ALDH1A1 (0.50) ALDH1A1TSHRHTTHCRTR1HDAC3
SCHEMBL6149339 1.00 ALDH1A1 (0.50) ALDH1A1TSHRHTTHCRTR1HDAC3
SCHEMBL6230682 1.00 ALDH1A1 (0.50) ALDH1A1TSHRHTTHCRTR1HDAC3
SCHEMBL6235837 1.00 ALDH1A1 (0.50) ALDH1A1TSHRHTTHCRTR1HDAC3
SCHEMBL721515 0.89 ALDH1A1 (0.53) ALDH1A1TSHRHTTHCRTR1HDAC3
SCHEMBL309080 0.89 ALDH1A1 (0.53) ALDH1A1TSHRHTTHCRTR1HDAC3
SCHEMBL16486722 0.84 TSHR (0.54) TSHRHTTHCRTR1HDAC3HDAC1
SCHEMBL16487383 0.84 TSHR (0.54) TSHRHTTHCRTR1HDAC3HDAC1
SCHEMBL29620510 0.83 HDAC1 (0.65) HDAC3HDAC1
SCHEMBL8655629 0.82 HTT (0.53) TSHRHTTHCRTR1

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-1010751-B1 Bleaching compositions PROCTER & GAMBLE (US) 2005-04-20 EP claimed