SCHEMBL5057249

SCHEMBL5057249

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 1/20 0.41
SCN3A Q9NY46 1/20 0.41
ALDH1A1 P00352 4/20 0.39
HPGD P15428 4/20 0.39
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
AOC3 Q16853 1/20 0.37
TAAR1 Q96RJ0 2/20 0.37
GRIA4 P48058 2/20 0.36
POLB P06746 1/20 0.36
GRIA2 P42262 1/20 0.36
CA12 O43570 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35

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
SCHEMBL5052472 0.87 PTGES2 (0.42) PTGES2ALDH1A1CYP3A4CYP2C19RAB9A
SCHEMBL5052473 0.82 PTGES2 (0.42) PTGES2SCN3AALDH1A1HPGDLMNA
SCHEMBL9637961 0.78 TGFBR1 (0.37) ALDH1A1
SCHEMBL797561 0.74 TGFBR1 (0.34) CA7CA14
SCHEMBL27773468 0.72 ALDH1A1 (0.45) ALDH1A1LMNAKDM4E
SCHEMBL28260663 0.71 ALDH1A1 (0.44) ALDH1A1LMNAKDM4E
SCHEMBL5050862 0.69 PTGES2 (0.43) PTGES2ALDH1A1CYP3A4CYP2C19RAB9A
SCHEMBL17258982 0.69 PTGES2 (0.57) PTGES2AOC3TAAR1GRIA4CA9
SCHEMBL8577983 0.68 TGFBR1 (0.41) ALDH1A1HPGDLMNAKDM4EPOLB
SCHEMBL5217923 0.67 TAAR1 (0.48) PTGES2ALDH1A1HPGDLMNAKDM4E

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