SCHEMBL883296

SCHEMBL883296

C=C(O)[C@@H]1[C@H](C)[C@@](C)(O)CN1C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.33
NR1H2 P55055 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
RORC P51449 5/20 0.31
HDAC8 Q9BY41 1/20 0.31
USP2 O75604 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL883197 0.88 HSD17B10 (0.37) HSD17B10NR1H2CHRM2CHRM1CHRM3
SCHEMBL10265402 0.88 HSD17B10 (0.37) HSD17B10NR1H2CHRM2CHRM1CHRM3
SCHEMBL883277 0.88 HSD17B10 (0.37) HSD17B10NR1H2CHRM2CHRM1CHRM3
SCHEMBL883279 0.83 PTPN1 (0.34) HSD17B10MAPK1NR1H2CHRM2CHRM1
SCHEMBL883198 0.83 PTPN1 (0.34) HSD17B10MAPK1NR1H2CHRM2CHRM1
SCHEMBL32664237 0.77 CHRM2 (0.38) HSD17B10MAPK1NR1H2CHRM2CHRM1
SCHEMBL13765261 0.77 NR1H2 (0.40) HSD17B10NR1H2CHRM2CHRM1CHRM3
SCHEMBL31239021 0.74 MAPK1 (0.37) HSD17B10MAPK1NR1H2CHRM2CHRM1
SCHEMBL30707073 0.70 CHRM2 (0.41) HSD17B10NR1H2CHRM2CHRM1CHRM3
SCHEMBL1643826 0.69 USP2 (0.39) HSD17B10NR1H2CHRM2CHRM1CHRM3

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