SCHEMBL28038313

SCHEMBL28038313

Nc1ccc(CC(NI)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.52
MME P08473 7/20 0.46
SOAT1 P35610 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ACE2 Q9BYF1 4/20 0.41
ACE P12821 3/20 0.41
CPA1 P15085 3/20 0.41
FOLH1 Q04609 1/20 0.41
NAALAD2 Q9Y3Q0 1/20 0.41
SLC7A5 Q01650 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FPR2 P25090 3/20 0.40
PTPN1 P18031 1/20 0.40

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
SCHEMBL28038310 1.00 CA2 (0.52) CA2MMESOAT1NPC1RAB9A
SCHEMBL8370940 0.84 CA2 (0.54) CA2MMESOAT1NPC1RAB9A
SCHEMBL3105902 0.84 FOLH1 (0.56) CA2MMEACE2ACECPA1
SCHEMBL28038651 0.84 CA2 (0.54) CA2MMESOAT1NPC1RAB9A
SCHEMBL8370938 0.84 CA2 (0.54) CA2MMESOAT1NPC1RAB9A
SCHEMBL55971 0.84 FOLH1 (0.56) CA2MMEACE2ACECPA1
SCHEMBL29486918 0.84 CA2 (0.54) CA2MMESOAT1NPC1RAB9A
SCHEMBL55972 0.84 FOLH1 (0.56) CA2MMEACE2ACECPA1
SCHEMBL8745399 0.84 FPR2 (0.55) MMEACE2ACECPA1FOLH1
SCHEMBL28038650 0.84 CA2 (0.54) CA2MMESOAT1NPC1RAB9A

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
CN-105384807-A Compositions Containing, Methods Involving, and Uses of Non-Natural Amino Acids and Polypeptides AMBRX INC 2016-03-09 CN disclosed
CN-101448512-B Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2015-11-25 CN disclosed