SCHEMBL3915686

SCHEMBL3915686

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

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.57
ACE P12821 3/20 0.57
RIPK1 Q13546 11/20 0.54
XIAP P98170 5/20 0.52
NPY1R P25929 1/20 0.49
NR1I2 O75469 1/20 0.49
CYP2C9 P11712 1/20 0.49

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 0.90 RIPK1 (0.64) MMEACERIPK1XIAPNPY1R
SCHEMBL12345873 0.85 RIPK1 (0.49) MMEACERIPK1XIAP
SCHEMBL3910591 0.84 RIPK1 (0.68) RIPK1NR1I2CYP2C9
SCHEMBL3910585 0.84 RIPK1 (0.68) RIPK1NR1I2CYP2C9
SCHEMBL3914724 0.82 MME (0.53) MMEACERIPK1XIAPNPY1R
SCHEMBL3912421 0.79 XIAP (0.55) MMEACERIPK1XIAPNPY1R
SCHEMBL3911195 0.78 SCN9A (0.51) MMEACERIPK1XIAPNPY1R
SCHEMBL12345874 0.77 SCN9A (0.42) MMEACERIPK1XIAP
SCHEMBL7341191 0.76 MME (0.62) MMEACERIPK1XIAPNPY1R
SCHEMBL7341195 0.76 MME (0.62) MMEACERIPK1XIAPNPY1R

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