SCHEMBL9878022

SCHEMBL9878022

CC(C)(C)OC(=O)N1CSCC1OC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
HSD17B10 Q99714 2/20 0.36
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
PREP P48147 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
USP2 O75604 1/20 0.33
NR1H2 P55055 1/20 0.32
BCHE P06276 1/20 0.32

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
SCHEMBL4843577 0.80 ATM (0.36) ATMHSD17B10CHRM2CHRM1CHRM3
SCHEMBL7268458 0.79 PREP (0.37) PREPSMN1; SMN2
SCHEMBL2525637 0.78 ACE (0.34) ATMHSD17B10
SCHEMBL202301 0.78 ACE (0.48) ATMHSD17B10CHRM2CHRM1CHRM3
SCHEMBL1022969 0.78 ACE (0.48) ATMHSD17B10CHRM2CHRM1CHRM3
SCHEMBL202300 0.78 ACE (0.48) ATMHSD17B10CHRM2CHRM1CHRM3
SCHEMBL27538723 0.77 ATM (0.39) ATMHSD17B10CHRM2CHRM1CHRM3
SCHEMBL14209894 0.77 ATM (0.39) ATMHSD17B10CHRM2CHRM1CHRM3
SCHEMBL12203690 0.77 ATM (0.39) ATMHSD17B10CHRM2CHRM1CHRM3
SCHEMBL8186065 0.76 ATM (0.39) ATMHSD17B10CHRM2CHRM1CHRM3

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
EP-0213326-B1 2,5-DIMETHYL PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR USE CASSELLA Aktiengesellschaft (DE) 1991-03-06 EP disclosed
EP-0175363-B1 4,5-DIHYDRO-3(2H)-PYRIDAZINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE CASSELLA Aktiengesellschaft (DE) 1990-01-17 EP disclosed
EP-0213326-A1 2,5-Dimethyl pyrrole derivatives, their preparation and their use CASSELLA Aktiengesellschaft (DE) 1987-03-11 EP disclosed
EP-0175363-A2 4,5-Dihydro-3(2H)-pyridazinones, process for their preparation and their use CASSELLA Aktiengesellschaft (DE) 1986-03-26 EP disclosed