SCHEMBL9815510

SCHEMBL9815510

CC(=O)NCC1CN(c2ccc(SC(C)=O)cc2)C(=O)O1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.56
MAOB P27338 2/20 0.56
LMNA P02545 1/20 0.56
PTGS1 P23219 1/20 0.56
CALML3 P27482 1/20 0.56
SDHA P31040 1/20 0.56
F10 P00742 8/20 0.54
ABCB11 O95342 1/20 0.52

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
SCHEMBL9815509 0.92 F10 (0.49) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL9815486 0.89 MAOA (0.57) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL13298924 0.86 MAOA (0.61) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL9550281 0.86 MAOA (0.54) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL10756140 0.85 MAOA (0.53) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL15367964 0.85 MAOA (0.60) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL16703808 0.85 MAOA (0.60) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL9550292 0.85 MAOA (0.60) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL8590209 0.84 MAOA (0.59) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL9823761 0.84 MAOA (0.65) MAOAMAOBLMNAPTGS1CALML3

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-0127902-B1 AMINOMETHYL OXOOXAZOLIDINYL BENZENE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-16 EP disclosed
US-4705799-A Aminomethyl oxooxazolidinyl benzenes useful as antibacterial agents E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-11-10 US disclosed
EP-0127902-A2 Aminomethyl oxooxazolidinyl benzene derivatives useful as antibacterial agents E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-12-12 EP disclosed