SCHEMBL14636685

SCHEMBL14636685

CC(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.53
BACE1 P56817 8/20 0.53
SLC6A11 P48066 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL14637748 1.00 BCHE (0.53) BCHEBACE1SLC6A11NPC1RAB9A
SCHEMBL5435440 0.87 BCHE (0.71) BCHEBACE1SLC6A11
SCHEMBL5444850 0.87 BCHE (0.71) BCHEBACE1SLC6A11
SCHEMBL6887167 0.87 BCHE (0.50) BCHEBACE1SLC6A11NPC1RAB9A
SCHEMBL5444846 0.87 BCHE (0.71) BCHEBACE1SLC6A11
SCHEMBL5435423 0.87 BCHE (0.50) BCHEBACE1SLC6A11NPC1RAB9A
SCHEMBL3915324 0.87 BCHE (0.71) BCHEBACE1SLC6A11
SCHEMBL5435426 0.87 BCHE (0.50) BCHEBACE1SLC6A11NPC1RAB9A
SCHEMBL3905032 0.87 BCHE (0.71) BCHEBACE1SLC6A11
SCHEMBL3905025 0.87 BCHE (0.71) BCHEBACE1SLC6A11

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
WO-2013011485-A1 PROCESS FOR THE PREPARATION OF SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2013-01-24 WO disclosed