SCHEMBL9723724

SCHEMBL9723724

COC(=O)C1NCCOC1C(=O)C1OCCNC1C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.36
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31

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
SCHEMBL9637134 0.81 ARG1 (0.36) ARG1
SCHEMBL27638808 0.80 ARG1 (0.33) ARG1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL9658075 0.79 ARG1 (0.47) ARG1
SCHEMBL15507640 0.77 ARG1 (0.32) ARG1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL28948795 0.74 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL28084230 0.73
SCHEMBL28948796 0.71 SLC1A2 (0.43) ARG1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2134995 0.70 ARG1 (0.38) ARG1
SCHEMBL2134991 0.70 ARG1 (0.38) ARG1
SCHEMBL2135002 0.70 ARG1 (0.38) ARG1

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
US-5164470-A Polymer compositions SHELL OIL COMPANY (US) 1992-11-17 US disclosed
US-5071996-A Benzheterocyclic compounds SHELL OIL COMPANY (US) 1991-12-10 US disclosed
US-4968812-A Spirolactonelactams SHELL OIL COMPANY (US) 1990-11-06 US disclosed