SCHEMBL23744924

SCHEMBL23744924

CC(C)COC(=O)CCC(C)(C)OCC(C)(C)N

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.33
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
EPHX2 P34913 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL29294034 0.86 TSHR (0.32) TSHRPOLBGAAMAPTTDP1
SCHEMBL18677688 0.78 TSHR (0.39) TSHRPOLBGAAMAPTTDP1
SCHEMBL6897046 0.77 MAPT (0.34) TSHRPOLBGAAMAPTTDP1
SCHEMBL14140317 0.77 STING1 (0.32)
SCHEMBL21955598 0.77
SCHEMBL15183842 0.76 TSHR (0.41) TSHRPOLBGAAMAPTTDP1
SCHEMBL8381586 0.76 TSHR (0.35) TSHRPOLBGAAMAPTTDP1
SCHEMBL24168564 0.74 ALDH1A1 (0.42) TSHRALDH1A1
SCHEMBL23008645 0.74 ALDH1A1 (0.35) GAAALDH1A1
SCHEMBL9669221 0.73 TSHR (0.38) TSHRPOLBGAAMAPTTDP1

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-2021158707-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. (US) 2021-08-12 WO disclosed