SCHEMBL9554546

SCHEMBL9554546

CC(C)(C)OC(=O)N1CCC1[C]=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.42
HSD17B10 Q99714 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 1/20 0.40
RECQL P46063 1/20 0.39
EPHX1 P07099 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
PREP P48147 1/20 0.37

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
SCHEMBL5171011 0.90 HSD17B10 (0.49) CTSKHSD17B10HPGDSMN1; SMN2MEN1
SCHEMBL2355780 0.90 HSD17B10 (0.49) CTSKHSD17B10HPGDSMN1; SMN2MEN1
SCHEMBL7855614 0.90 HSD17B10 (0.49) CTSKHSD17B10HPGDSMN1; SMN2MEN1
SCHEMBL9555116 0.88 HPGD (0.48) CTSKHSD17B10HPGDSMN1; SMN2RECQL
SCHEMBL7380781 0.88 HPGD (0.48) CTSKHSD17B10HPGDSMN1; SMN2RECQL
SCHEMBL5275535 0.84 HSD17B10 (0.47) CTSKHSD17B10CHRM2CHRM1CHRM3
SCHEMBL6166916 0.84 CTSK (0.49) CTSKHSD17B10CHRM2CHRM1CHRM3
SCHEMBL4919669 0.84 HSD17B10 (0.47) CTSKHSD17B10CHRM2CHRM1CHRM3
SCHEMBL16067363 0.84 CTSK (0.49) CTSKHSD17B10CHRM2CHRM1CHRM3
SCHEMBL25177092 0.80 HSD17B10 (0.41) CTSKHSD17B10CHRM2CHRM1CHRM3

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
US-5250517-A Hypotensive and cardiotonic agents; cardiac insufficiency HOFFMANN-LA ROCHE INC. (US) 1993-10-05 US claimed