SCHEMBL8329335

SCHEMBL8329335

CC(C)(C)OC(=O)ON1C[C@H](O)[C@@H](O)C1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
NR1H2 P55055 1/20 0.34
DGAT1 O75907 1/20 0.33
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CTSK P43235 2/20 0.31
ELANE P08246 1/20 0.31
HPGD P15428 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
SCHEMBL8329981 1.00 CHRM2 (0.37) CHRM2CHRM1CHRM3NR1H2DGAT1
SCHEMBL14764516 0.88 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2USP2
SCHEMBL4435193 0.88 CHRM2 (0.33) CHRM2CHRM1CHRM3NR1H2
SCHEMBL8329771 0.81 NR1H2 (0.33) CHRM2CHRM1CHRM3NR1H2
SCHEMBL8327110 0.81 NR1H2 (0.33) CHRM2CHRM1CHRM3NR1H2
SCHEMBL4584160 0.81 CHRM2 (0.35) CHRM2CHRM1CHRM3NR1H2USP2
SCHEMBL8326060 0.79 CHRM2 (0.31) CHRM2CHRM1CHRM3
SCHEMBL6955257 0.79 MIF (0.35) ELANE
SCHEMBL8331008 0.79 CHRM2 (0.31) CHRM2CHRM1CHRM3
SCHEMBL14763728 0.78 CHRM2 (0.40) CHRM2CHRM1CHRM3NR1H2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0551653-B1 Enantiomeric pure cis-2-oxa-5,8-diazabicyclo (4.3.0)nonanes and process for their preparation BAYER AG (DE) 1999-03-17 EP disclosed
EP-0592868-A1 Quinolonecarboxylic acids BAYER AG (DE) 1994-04-20 EP disclosed
EP-0591808-A1 Quinolonecarboxylic acids BAYER AG (DE) 1994-04-13 EP disclosed
EP-0551653-A1 Enantiomeric pure 2-oxa-5,8-diazabicyclo (4.3.0)nonanes and process for their preparation BAYER AG (DE) 1993-07-21 EP disclosed
EP-0550903-A1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1993-07-14 EP disclosed