SCHEMBL11248910

SCHEMBL11248910

CCOC(=O)C[C@H]1CC=CC[C@H]1CC(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 5/20 0.41
TRPA1 O75762 1/20 0.41
ALOX15 P16050 2/20 0.38
USP2 O75604 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 2/20 0.37
MIF P14174 1/20 0.37
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.35
SOAT1 P35610 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL11248918 1.00 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL14363249 0.83 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL16512742 0.78 TSHR (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL16512555 0.78 TSHR (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28459492 0.78 ALDH1A1 (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL11018563 0.77 MGAM (0.39) MGAMGAASIMGAM2ALDH1A1
SCHEMBL10794124 0.77 MGAM (0.39) MGAMGAASIMGAM2ALDH1A1
SCHEMBL15653541 0.77 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL27617213 0.77
SCHEMBL13102039 0.76 CYP1A2 (0.36) MGAMGAASIMGAM2ALDH1A1

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
US-4322435-A FOR THROMBOSIS SANKYO COMPANY LIMITED (JP) 1982-03-30 US disclosed