SCHEMBL27277366

SCHEMBL27277366

CC(=O)c1ccc(OC(=O)[C@@H](N)Cc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.59
PPARA Q07869 2/20 0.59
KMT2A Q03164 3/20 0.57
MAOB P27338 1/20 0.55
ALPI P09923 1/20 0.51
PKM P14618 1/20 0.51
PTGS1 P23219 1/20 0.51
XIAP P98170 1/20 0.51
SLC7A5 Q01650 1/20 0.51
LMNA P02545 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ELANE P08246 2/20 0.48
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC15A1 P46059 2/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL7780318 0.88 ALPI (0.61) PPARGPPARAALPIPKMPTGS1
SCHEMBL1449126 0.88 ALPI (0.61) PPARGPPARAALPIPKMPTGS1
SCHEMBL27373982 0.88 ALPI (0.61) PPARGPPARAALPIPKMPTGS1
Hydrochloric Acid SCHEMBL6896783 0.86 ALPI (0.59) PPARGPPARAALPIPKMPTGS1
SCHEMBL29131645 0.86 ALPI (0.49) PPARGPPARAKMT2AALPIPKM
SCHEMBL579041 0.85 SLC6A4 (0.56) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL20898438 0.85 ALPI (0.51) PPARGPPARAALPIPKMPTGS1
Phenylalanine SCHEMBL5699042 0.85 SLC7A5 (0.69) PPARGPPARAALPIPKMPTGS1
SCHEMBL1003560 0.85 SLC7A5 (0.69) PPARGPPARAALPIPKMPTGS1
Phenylalanine SCHEMBL5608077 0.85 SLC7A5 (0.69) PPARGPPARAALPIPKMPTGS1

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-1015711-B Cycloalkaho [1,2-b] indole-sulphonamides BAYER AG (DE) 1992-03-04 CN disclosed
CN-87100773-A Cycloalkanes is [1,2-b] indoles-sulfamide compound also 1987-09-02 CN disclosed