SCHEMBL2235527

SCHEMBL2235527

CCCN1C(=O)[C@@H](N(C(=O)O)C(C)(C)C)COc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.40
ACE P12821 3/20 0.40
ALDH1A1 P00352 3/20 0.39
RIPK1 Q13546 9/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
XIAP P98170 1/20 0.36

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
SCHEMBL2233494 0.91 RIPK1 (0.46) MMEACEALDH1A1RIPK1LMNA
SCHEMBL2236141 0.85 RIPK1 (0.46) RIPK1
SCHEMBL2236134 0.85 RIPK1 (0.46) RIPK1
SCHEMBL2235118 0.85 NPC1 (0.37) MMEACEALDH1A1RIPK1LMNA
SCHEMBL2236369 0.82 KMT2A (0.44) MMEACEALDH1A1RIPK1MEN1
SCHEMBL2237725 0.80 SCN9A (0.41) ALDH1A1RIPK1LMNASMN1; SMN2NPSR1
SCHEMBL3915686 0.75 MME (0.57) MMEACERIPK1XIAP
SCHEMBL12345874 0.74 SCN9A (0.42) MMEACEALDH1A1RIPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL2234422 0.73 SCN9A (0.41) MMEACEALDH1A1RIPK1SMN1; SMN2
SCHEMBL17312429 0.72 KIF11 (0.40) RIPK1

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-7994161-B2 Derivatives of 2-alkoxy-3,4,5-trihydroxy-alkyl amides, preparation and use thereof, and compositions containing the same SANOFI-AVENTIS (FR) 2011-08-09 US disclosed