SCHEMBL9779443

SCHEMBL9779443

CC(C)(C)OC(=O)CNCC(=O)Nc1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 16/20 0.41
MEN1 O00255 15/20 0.41
KMT2A Q03164 15/20 0.41
HSD17B10 Q99714 11/20 0.41
MAPT P10636 11/20 0.40
RAB9A P51151 7/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
NPC1 O15118 5/20 0.40
ALOX15 P16050 10/20 0.40
TP53 P04637 7/20 0.40
HTT P42858 4/20 0.40
USP2 O75604 3/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 8/20 0.40
PKM P14618 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
GFER P55789 2/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 2/20 0.39

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
SCHEMBL9769956 0.86 GAA (0.45) GAAMEN1KMT2AHSD17B10MAPT
SCHEMBL9779589 0.82 MEN1 (0.51) GAAMEN1KMT2AHSD17B10MAPT
SCHEMBL9779474 0.81 GAA (0.40) GAAMEN1KMT2AHSD17B10MAPT
Hydrochloric Acid SCHEMBL9326180 0.77 GAA (0.45) GAAMEN1KMT2AHSD17B10MAPT
SCHEMBL399012 0.76 GAA (0.50) GAAMEN1KMT2AHSD17B10MAPT
SCHEMBL3451518 0.76 KMT2A (0.48) GAAMEN1KMT2ANPC1USP2
SCHEMBL783009 0.72 CA2 (0.41) GAAMEN1KMT2ATDP1L3MBTL1
SCHEMBL3422728 0.71 GAA (0.55) GAAMEN1KMT2AHSD17B10MAPT
Hydrochloric Acid SCHEMBL28317066 0.70 GAA (0.54) GAAMEN1KMT2AHSD17B10MAPT
SCHEMBL29126042 0.69 CTSK (0.41) GAAMEN1KMT2AHSD17B10MAPT

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-5015659-A Cognition activators to slow aging of the brain CASSELLA AKTIENGESELLSCHAFT (DE) 1991-05-14 US disclosed