SCHEMBL16856331

SCHEMBL16856331

CC(C)(C)OC(=O)N1[C@H]2CCC(C2)[C@H]1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.68
CHRM2 P08172 1/20 0.59
CHRM1 P11229 1/20 0.59
CHRM3 P20309 1/20 0.59
HSD11B1 P28845 1/20 0.40
NR1H2 P55055 1/20 0.38
GPR119 Q8TDV5 4/20 0.36
HSD17B10 Q99714 1/20 0.35
HPGD P15428 1/20 0.34
BTK Q06187 1/20 0.34
ELANE P08246 1/20 0.33

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
SCHEMBL6121900 1.00 PREP (0.68) PREPCHRM2CHRM1CHRM3HSD11B1
SCHEMBL16824585 1.00 PREP (0.68) PREPCHRM2CHRM1CHRM3HSD11B1
SCHEMBL6504447 1.00 PREP (0.68) PREPCHRM2CHRM1CHRM3HSD11B1
SCHEMBL18177046 1.00 PREP (0.68) PREPCHRM2CHRM1CHRM3HSD11B1
SCHEMBL903505 1.00 PREP (0.68) PREPCHRM2CHRM1CHRM3HSD11B1
SCHEMBL12294932 1.00 PREP (0.68) PREPCHRM2CHRM1CHRM3HSD11B1
SCHEMBL21863336 1.00 PREP (0.68) PREPCHRM2CHRM1CHRM3HSD11B1
SCHEMBL20689888 1.00 PREP (0.68) PREPCHRM2CHRM1CHRM3HSD11B1
SCHEMBL22811006 1.00 PREP (0.68) PREPCHRM2CHRM1CHRM3HSD11B1
SCHEMBL8749334 1.00 PREP (0.68) PREPCHRM2CHRM1CHRM3HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015095301-A2 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF IRM LLC (BM) 2015-06-25 WO disclosed