SCHEMBL10334656

SCHEMBL10334656

CN(C)c1ccc(C(OCC(=O)OC(C)(C)C)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.41
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
ATM Q13315 1/20 0.36
CNR2 P34972 1/20 0.36
FFAR1 O14842 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
SLC2A1 P11166 1/20 0.35

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
SCHEMBL9292110 0.81 CTSS (0.42) L3MBTL1TSHRCTSSCTSK
SCHEMBL11192255 0.80 ALDH1A1 (0.54) GAAALDH1A1L3MBTL1MAPTHPGD
SCHEMBL2886224 0.75 GPBAR1 (0.49) GAAALDH1A1L3MBTL1MAPTHPGD
SCHEMBL11186410 0.70 MAPT (0.57) GAAALDH1A1L3MBTL1MAPTHPGD
SCHEMBL7602827 0.70 MAPT (0.44) GAAALDH1A1L3MBTL1TSHRHSD17B10
SCHEMBL11234847 0.70 GAA (0.49) GAAALDH1A1L3MBTL1TSHRHSD17B10
SCHEMBL9134855 0.70 MAPT (0.47) GAAALDH1A1L3MBTL1TSHRHSD17B10
SCHEMBL10335675 0.70 IDO1 (0.51) GAAALDH1A1L3MBTL1ATM
SCHEMBL10334906 0.70 GAA (0.47) GAAALDH1A1MAPT
SCHEMBL11189369 0.69 MAPT (0.58) GAAALDH1A1L3MBTL1MAPTHPGD

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-4964893-A REDUCING INJURY TO A CROP PLANT MONSANTO COMPANY (US) 1990-10-23 US disclosed