SCHEMBL15833517

SCHEMBL15833517

CCOC(=O)CC(C)N(C)CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
ALDH1A1 P00352 7/20 0.40
TRPA1 O75762 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ALOX15 P16050 3/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 2/20 0.37
CHRM1 P11229 1/20 0.37
ADORA1 P30542 1/20 0.37
CYP1A2 P05177 1/20 0.35
LMNA P02545 1/20 0.34
CYP2D6 P10635 1/20 0.33

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
SCHEMBL15835848 0.85 MGAM (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL20028538 0.83 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL7837090 0.83 CYP1A2 (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL29155871 0.82 GAA (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL11668527 0.80 CYP2D6 (0.42) ALDH1A1CYP3A4TSHRCHRM1CYP1A2
SCHEMBL11585151 0.79 DNM1 (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5552516 0.79 GAA (0.39) MGAMGAASIMGAM2ALDH1A1
SCHEMBL20180238 0.78 MGAM (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL20180239 0.77 MGAM (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL22323089 0.77 GAA (0.50) 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
WO-2014100695-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-06-26 WO disclosed