SCHEMBL5052473

SCHEMBL5052473

C=C(C=O)NOS(=O)(=O)CC(C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 1/20 0.42
AOC3 Q16853 3/20 0.38
TAAR1 Q96RJ0 3/20 0.38
GRIA4 P48058 2/20 0.37
SIRT1 Q96EB6 2/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
KMT2A Q03164 3/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
TRPA1 O75762 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
PMP22 Q01453 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GRIA2 P42262 1/20 0.34

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
SCHEMBL5050862 0.86 PTGES2 (0.43) PTGES2AOC3GRIA4KMT2AALDH1A1
SCHEMBL5057249 0.82 PTGES2 (0.41) PTGES2AOC3TAAR1GRIA4ALDH1A1
SCHEMBL4908429 0.79
SCHEMBL17258982 0.69 PTGES2 (0.57) PTGES2AOC3TAAR1GRIA4TRPA1
SCHEMBL5052472 0.69 PTGES2 (0.42) PTGES2KMT2AALDH1A1POLBNPSR1
SCHEMBL9597334 0.69 PTGES2 (0.54) PTGES2AOC3TAAR1GRIA4KMT2A
SCHEMBL5217555 0.68 TAAR1 (0.48) PTGES2AOC3TAAR1GRIA4KMT2A
SCHEMBL5217923 0.68 TAAR1 (0.48) PTGES2AOC3TAAR1GRIA4KMT2A
SCHEMBL5217546 0.68 TAAR1 (0.48) PTGES2AOC3TAAR1GRIA4KMT2A
SCHEMBL6718127 0.66 TAAR1 (0.50) PTGES2AOC3TAAR1GRIA4KMT2A

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-20080281014-A1 Nanosubstance-Containing Composition, Process for Producing the Same, and Composite Made With the Same MITSUBISHI RAYON CO., LTD. (JP) 2008-11-13 US disclosed