SCHEMBL2015867

SCHEMBL2015867

CC(C)(C)OC(=O)C1CCSCN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.42
HSD17B10 Q99714 2/20 0.42
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
USP2 O75604 1/20 0.37
RECQL P46063 1/20 0.36
EPHX2 P34913 1/20 0.36
KLK7 P49862 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL1249539 0.89 HSD17B10 (0.46) PREPHSD17B10CHRM2CHRM1CHRM3
SCHEMBL26077743 0.85 ATM (0.45) PREPHSD17B10CHRM2CHRM1CHRM3
SCHEMBL14209868 0.82 PREP (0.43) PREPHSD17B10CHRM2CHRM1CHRM3
SCHEMBL7328713 0.80 HSD17B10 (0.49) HSD17B10CHRM2CHRM1CHRM3SMN1; SMN2
SCHEMBL202301 0.79 ACE (0.48) PREPHSD17B10CHRM2CHRM1CHRM3
SCHEMBL202300 0.79 ACE (0.48) PREPHSD17B10CHRM2CHRM1CHRM3
SCHEMBL1022969 0.79 ACE (0.48) PREPHSD17B10CHRM2CHRM1CHRM3
SCHEMBL19414808 0.77 HSD17B10 (0.61) HSD17B10SMN1; SMN2EPHX2KLK7HPGD
SCHEMBL895773 0.77 HSD17B10 (0.61) HSD17B10SMN1; SMN2EPHX2KLK7HPGD
SCHEMBL7286305 0.77 HSD17B10 (0.61) HSD17B10SMN1; SMN2EPHX2KLK7HPGD

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-2011067266-A1 CARBOXYLIC ACID ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 WO disclosed