SCHEMBL28388602

SCHEMBL28388602

CC(C(=O)ONC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.45
CTSS P25774 1/20 0.45
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
IDO1 P14902 1/20 0.41
KMT2A Q03164 2/20 0.41
GABRB1 P18505 1/20 0.40
GABRB2 P47870 1/20 0.40
MAPT P10636 1/20 0.40
GPR88 Q9GZN0 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
SYK P43405 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 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
SCHEMBL1951664 1.00 CTSK (0.45) CTSKCTSSPTGS1PTGS2IDO1
SCHEMBL1951580 1.00 CTSK (0.45) CTSKCTSSPTGS1PTGS2IDO1
SCHEMBL27983902 0.85 CA12 (0.41) CTSKCTSSPTGS1PTGS2KMT2A
SCHEMBL16782694 0.82 APP (0.47) CTSKCTSSPTGS1PTGS2KMT2A
SCHEMBL2289610 0.82 APP (0.47) CTSKCTSSPTGS1PTGS2KMT2A
SCHEMBL1927900 0.82 CXCR1 (0.53) PTGS1PTGS2
SCHEMBL2022790 0.81 MEN1 (0.50) CTSKCTSSKMT2AMAPTSYK
SCHEMBL27983819 0.80 MAPT (0.50) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL7451234 0.80 HDAC1 (0.52) KMT2AMAPTMEN1RAB9A
SCHEMBL30678990 0.78 HTT (0.42) CTSKPTGS1PTGS2KMT2AGPR88

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4249470-B1 METHOD FOR PREPARING ALPHA-AMINO ACIDS PHILIPPS UNIV MARBURG (DE) 2024-11-13 EP disclosed
EP-4249470-A1 METHOD FOR PREPARING ALPHA-AMINO ACIDS PHILIPPS-UNIVERSITÄT MARBURG (DE) 2023-09-27 EP disclosed
CN-105919987-B N-acyloxysulfonamide and N-hydroxy-N-acylsulfonamide derivatives and uses thereof 约翰斯霍普金斯大学 2020-04-03 CN disclosed