SCHEMBL8991454

SCHEMBL8991454

CCOC(=O)CSc1nc2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2o1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.48
MAOB P27338 2/20 0.47
LMNA P02545 1/20 0.47
PTGS1 P23219 1/20 0.47
CALML3 P27482 1/20 0.47
SDHA P31040 1/20 0.47
ELANE P08246 1/20 0.43
TOP2B Q02880 1/20 0.41
ABCB11 O95342 1/20 0.41
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ITGB3 P05106 2/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
ITGA2B P08514 2/20 0.40
PRSS3 P35030 2/20 0.40
F10 P00742 2/20 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
SCHEMBL8991494 0.82 MAOA (0.57) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL8991420 0.74 MAOA (0.56) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL4097835 0.74 MAOA (0.61) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL4101695 0.74 MAOA (0.61) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL6097294 0.72 TOP2B (0.64) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL8130496 0.72 MMP13 (0.51) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL9029466 0.72 MAOA (0.55) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL13428394 0.72 MAOA (0.57) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL15367964 0.71 MAOA (0.60) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL10396159 0.71 MAOA (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5529998-A ANTIBACTERIAL MEDICAMENTS BAYER AKTIENGESELLSCHAFT (DE) 1996-06-25 US disclosed
EP-0697412-A1 Benzoxazolyl- and benzo-thiazolyl-oxazolidinones BAYER AG (DE) 1996-02-21 EP disclosed