SCHEMBL875482

SCHEMBL875482

CC1C(O)CN(C(=O)OC(C)(C)C)[C@@H]1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

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
NR1H2 P55055 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD11B1 P28845 1/20 0.32
PREP P48147 1/20 0.32

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
SCHEMBL883210 1.00 HSD17B10 (0.39) HSD17B10CHRM2CHRM1CHRM3NR1H2
SCHEMBL17154296 1.00 HSD17B10 (0.39) HSD17B10CHRM2CHRM1CHRM3NR1H2
SCHEMBL874850 1.00 HSD17B10 (0.39) HSD17B10CHRM2CHRM1CHRM3NR1H2
SCHEMBL882934 0.87 CHRM2 (0.38) HSD17B10CHRM2CHRM1CHRM3NR1H2
SCHEMBL15423568 0.87 CHRM2 (0.38) HSD17B10CHRM2CHRM1CHRM3NR1H2
SCHEMBL18094053 0.87 HSD17B10 (0.40) HSD17B10CHRM2CHRM1CHRM3NR1H2
SCHEMBL30591306 0.87 HSD17B10 (0.40) HSD17B10CHRM2CHRM1CHRM3NR1H2
SCHEMBL18611180 0.87 HSD17B10 (0.40) HSD17B10CHRM2CHRM1CHRM3NR1H2
SCHEMBL15116885 0.87 HSD17B10 (0.40) HSD17B10CHRM2CHRM1CHRM3NR1H2
SCHEMBL1314629 0.85 HSD17B10 (0.40) HSD17B10CHRM2CHRM1CHRM3NR1H2

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-2012040242-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-03-29 WO disclosed