SCHEMBL883349

SCHEMBL883349

C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C12CC2

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.37
NR1H2 P55055 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
USP2 O75604 1/20 0.32
CCR2 P41597 1/20 0.31

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
SCHEMBL3428406 0.85 HSD17B10 (0.37) HSD17B10NR1H2SMN1; SMN2CHRM2CHRM1
SCHEMBL875744 0.74 HSD17B10 (0.38) HSD17B10NR1H2SMN1; SMN2CHRM2CHRM1
SCHEMBL875743 0.74 HSD17B10 (0.38) HSD17B10NR1H2SMN1; SMN2CHRM2CHRM1
SCHEMBL35211488 0.73 HSD17B10 (0.40) HSD17B10NR1H2SMN1; SMN2CHRM2CHRM1
SCHEMBL17654997 0.72 HSD17B10 (0.42) HSD17B10NR1H2SMN1; SMN2CHRM2CHRM1
SCHEMBL883204 0.72 HSD17B10 (0.42) HSD17B10NR1H2SMN1; SMN2CHRM2CHRM1
SCHEMBL905280 0.72 HSD17B10 (0.42) HSD17B10NR1H2SMN1; SMN2CHRM2CHRM1
SCHEMBL905275 0.72 HSD17B10 (0.42) HSD17B10NR1H2SMN1; SMN2CHRM2CHRM1
SCHEMBL16369976 0.72 HSD17B10 (0.42) HSD17B10NR1H2SMN1; SMN2CHRM2CHRM1
SCHEMBL15776522 0.72 HSD17B10 (0.42) HSD17B10NR1H2SMN1; SMN2CHRM2CHRM1

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