SCHEMBL3914724

SCHEMBL3914724

C=CCN1C(=O)[C@@H](NC(=O)O)COc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.53
ACE P12821 3/20 0.53
RIPK1 Q13546 9/20 0.48
XIAP P98170 6/20 0.48
NPY1R P25929 1/20 0.46
NR1I2 O75469 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL3913698 0.84 RIPK1 (0.64) MMEACERIPK1XIAPNPY1R
SCHEMBL12345868 0.84 SCN9A (0.46) MMEACERIPK1XIAPNPY1R
SCHEMBL3915686 0.82 MME (0.57) MMEACERIPK1XIAPNPY1R
SCHEMBL3912421 0.78 XIAP (0.55) MMEACERIPK1XIAPNPY1R
SCHEMBL3910591 0.78 RIPK1 (0.68) RIPK1NR1I2CYP2C9
SCHEMBL12345869 0.78 L3MBTL1 (0.40) MMEACEXIAP
SCHEMBL3910585 0.78 RIPK1 (0.68) RIPK1NR1I2CYP2C9
SCHEMBL3349304 0.77 MME (0.39) MMEACE
SCHEMBL3349310 0.77 MME (0.39) MMEACE
SCHEMBL4495061 0.77 ACE (0.53) MMEACERIPK1XIAP

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-2029555-A2 DERIVATIVES OF 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYL AMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME Sanofi-Aventis (FR) 2009-03-04 EP disclosed
WO-2007135295-A2 DERIVATIVES OF 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYL AMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME SANOFI-AVENTIS (FR) 2007-11-29 WO disclosed