SCHEMBL8771905

SCHEMBL8771905

CCCCC(N)n1c(=O)ccoc1=O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
S1PR2 O95136 1/20 0.30
S1PR1 P21453 1/20 0.30

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
SCHEMBL8771915 0.67 ALDH1A1 (0.41) ALDH1A1
SCHEMBL8919967 0.66 PTGER4 (0.36)
SCHEMBL11142108 0.65 GAA (0.34) S1PR2S1PR1
SCHEMBL5908019 0.64 MGLL (0.42) ALDH1A1
Hydrochloric Acid SCHEMBL7515370 0.62 MGLL (0.41) ALDH1A1
SCHEMBL4551699 0.59 PKM (0.41) ALDH1A1
SCHEMBL13479612 0.59 ALDH1A1 (0.37) ALDH1A1
SCHEMBL16094117 0.59 MGLL (0.46) ALDH1A1S1PR2S1PR1
SCHEMBL6141655 0.58 LMNA (0.34)
SCHEMBL5251061 0.56 OPRM1 (0.36) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0638563-B1 Aminoaryl-1,3-oxazin-2,4-diones BAYER AG (DE) 1997-10-15 EP claimed
US-5593944-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-01-14 US claimed
JP-7070093-A None JP disclosed
US-5593944-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-01-14 US disclosed
US-5593944-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-01-14 US disclosed
US-5593944-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-01-14 US disclosed
JP-H0770093-A AMINOARYL-1,3-OXAZINE-2,4-DIONE BAYER AG 1995-03-14 JP disclosed
EP-0638563-A1 Aminoaryl-1,3-oxazin-2,4-diones BAYER AG (DE) 1995-02-15 EP disclosed