SCHEMBL9681835

SCHEMBL9681835

CCOC(=O)NC=CC=CNC(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 4/20 0.42
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX15 P16050 1/20 0.39
SOAT1 P35610 1/20 0.39
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MIF P14174 1/20 0.36
TRPA1 O75762 1/20 0.36

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
SCHEMBL9681828 1.00 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4852756 0.90 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4852762 0.90 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9679752 0.90 GAA (0.37) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9679746 0.90 GAA (0.37) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL407290 0.87 GAA (0.38) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL14321709 0.87 GAA (0.38) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9719707 0.84
SCHEMBL5690799 0.84
SCHEMBL11114267 0.84

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-5155240-A Process for producing optically active dihydropyran derivative TAKASAGO INTERNATIONAL CORPORATION (JP) 1992-10-13 US disclosed