SCHEMBL8932405

SCHEMBL8932405

COc1ccc(CSC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.52
PPARA Q07869 2/20 0.52
EPHX1 P07099 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
EPHX2 P34913 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
GAA P10253 1/20 0.43
IDO1 P14902 1/20 0.42
ALDH1A1 P00352 4/20 0.41
ANPEP P15144 1/20 0.40
ERAP2 Q6P179 1/20 0.40
SYK P43405 1/20 0.40
CACNA1B Q00975 2/20 0.40
LMNA P02545 1/20 0.40
VNN1 O95497 1/20 0.40
SMN1; SMN2 Q16637 3/20 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
SCHEMBL14701896 0.89 PPARG (0.50) PPARGPPARAEPHX1L3MBTL1MEN1
SCHEMBL14701897 0.88 PPARG (0.45) PPARGPPARAEPHX1L3MBTL1MEN1
SCHEMBL10511874 0.81 PPARG (0.62) PPARGPPARAGAAALDH1A1SYK
SCHEMBL7870056 0.80 PPARG (0.57) PPARGPPARAEPHX1L3MBTL1GAA
SCHEMBL14974845 0.79 LDHA (0.48) PPARGPPARAL3MBTL1MEN1NPC1
SCHEMBL7411635 0.79 PPARG (0.47) PPARGPPARAEPHX1L3MBTL1MEN1
SCHEMBL10641625 0.78 GAA (0.51) PPARGPPARAEPHX1MEN1KMT2A
SCHEMBL7403870 0.78 PPARG (0.46) PPARGPPARAEPHX1L3MBTL1KMT2A
SCHEMBL7408782 0.78 PPARG (0.46) PPARGPPARAEPHX1L3MBTL1KMT2A
SCHEMBL7403869 0.78 PPARG (0.46) PPARGPPARAEPHX1L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996026939-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-06 WO disclosed
EP-0144825-B1 CYCLIC GUANIDINYL THIO CARBAPENEMS MERCK & CO. INC. (US) 1989-07-05 EP disclosed
US-4717728-A ANTIBIOTICS MERCK & CO., INC. (US) 1988-01-05 US disclosed
EP-0144825-A1 Cyclic guanidinyl thio carbapenems MERCK & CO. INC. (US) 1985-06-19 EP disclosed