SCHEMBL3828099

SCHEMBL3828099

C[C@H](CC(C)(C)S(N)(=O)=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.47
PTGES2 Q9H7Z7 2/20 0.47
RIPK1 Q13546 1/20 0.46
AOC3 Q16853 2/20 0.43
GRIA4 P48058 3/20 0.41
GBA1 P04062 1/20 0.40
TRPA1 O75762 2/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL3709873 0.86 GRIA4 (0.46) GRIA4
SCHEMBL20234616 0.84 RIPK1 (0.47) TAAR1PTGES2RIPK1AOC3GRIA4
SCHEMBL6749856 0.82 CA1 (0.43) GBA1ALDH1A1
SCHEMBL27911010 0.80 TAAR1 (0.43) TAAR1PTGES2RIPK1GBA1ALDH1A1
SCHEMBL27911005 0.80 TAAR1 (0.43) TAAR1PTGES2RIPK1GBA1ALDH1A1
SCHEMBL27893888 0.80 TAAR1 (0.43) TAAR1PTGES2RIPK1GBA1ALDH1A1
SCHEMBL21295131 0.80 PNMT (0.47) PTGES2
SCHEMBL30601282 0.77 CA1 (0.42) PTGES2ALDH1A1
SCHEMBL27895132 0.76 TAAR1 (0.39) TAAR1PTGES2RIPK1GBA1ALDH1A1
SCHEMBL27912297 0.76 TAAR1 (0.39) TAAR1PTGES2RIPK1GBA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102153-A1 AMPA RECEPTOR POTENTIATORS Eli Lilly & Company (US) 2009-09-23 EP disclosed
WO-2008073789-A1 AMPA RECEPTOR POTENTIATORS ELI LILLY AND COMPANY (US) 2008-06-19 WO disclosed