SCHEMBL7971882

SCHEMBL7971882

CC(=O)C12CCN(CC1)CC2.COC(=O)CC(=O)C12CCN(CC1)CC2

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
TSHR P16473 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL7985447 0.82 CHRM2 (0.40) MGAMGAASIMGAM2TSHR
SCHEMBL9444180 0.79 CHRM2 (0.31)
SCHEMBL3531364 0.65 MGAM (0.44) MGAMGAASIMGAM2TSHR
SCHEMBL21987177 0.64 MGAM (0.39) MGAMGAASIMGAM2TSHR
SCHEMBL16486066 0.63 MGAM (0.42) MGAMGAASIMGAM2TSHR
SCHEMBL2012180 0.63 MGAM (0.42) MGAMGAASIMGAM2TSHR
SCHEMBL17501817 0.63 MGAM (0.42) MGAMGAASIMGAM2TSHR
SCHEMBL14696636 0.63 ALDH1A1 (0.56) TSHR
SCHEMBL12302197 0.62 NPSR1 (0.40) TSHR
SCHEMBL19704961 0.62 ALDH1A1 (0.36) TSHR

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-2001014310-A1 PLEUROMUTILIN β-KETOESTERS SMITHKLINE BEECHAM P.L.C. (GB) 2001-03-01 WO disclosed