SCHEMBL5822210

SCHEMBL5822210

CC(C)(C)OC(=O)C1CCN(C(=O)OC(C)(C)C)C1N

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
HPGD P15428 1/20 0.38
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTSK P43235 1/20 0.36
RECQL P46063 1/20 0.36
EPHX1 P07099 1/20 0.36
NR1H2 P55055 1/20 0.36

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
SCHEMBL27585869 0.87 HSD17B10 (0.39) HSD17B10CHRM2CHRM1CHRM3HPGD
SCHEMBL29775937 0.82 HSD17B10 (0.44) HSD17B10SMN1; SMN2EPHX1
SCHEMBL428908 0.80 HRH3 (0.37) CHRM2CHRM1CHRM3HPGDUSP2
SCHEMBL10272272 0.80 CHRM2 (0.44) HSD17B10CHRM2CHRM1CHRM3HPGD
SCHEMBL584545 0.80 HRH3 (0.37) CHRM2CHRM1CHRM3HPGDUSP2
SCHEMBL29775686 0.79 MEN1 (0.44) HSD17B10HPGDSMN1; SMN2
SCHEMBL1971846 0.79 SMN1; SMN2 (0.46) SMN1; SMN2
SCHEMBL1971848 0.79 SMN1; SMN2 (0.46) SMN1; SMN2
SCHEMBL29775760 0.78 HSD17B10 (0.52) HSD17B10HPGDSMN1; SMN2EPHX1
SCHEMBL3052943 0.78 HSD17B10 (0.52) HSD17B10HPGDSMN1; SMN2EPHX1

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
JP-2006022045-A METHOD FOR ISOLATING AND PURIFYING OPTICALLY ACTIVE 1-t-BUTOXYCARBONYL-3-AMINOPYRROLIDINE SALT KANEKA CORP 2006-01-26 JP disclosed