SCHEMBL22856483

SCHEMBL22856483

CCCCOCCN(C)C(=O)CS

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ATM Q13315 1/20 0.37
CYP3A4 P08684 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CES2 O00748 1/20 0.35
DNM1 Q05193 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HCAR2 Q8TDS4 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EPHX2 P34913 2/20 0.33
RARB P10826 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
SCHEMBL12848670 0.85 TSHR (0.43) TSHRATMCYP3A4ZDHHC20ALDH1A1
SCHEMBL22856582 0.84 TSHR (0.42) TSHRATMCYP3A4ZDHHC20ALDH1A1
SCHEMBL12452054 0.84 TSHR (0.42) TSHRATMCYP3A4ZDHHC20ALDH1A1
SCHEMBL6859349 0.81 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AEPHX2
SCHEMBL22793905 0.79 TSHR (0.45) TSHRATMCYP3A4ZDHHC20ALDH1A1
SCHEMBL16355252 0.79 THRA (0.38) TSHRCYP3A4ZDHHC20ALDH1A1CES2
SCHEMBL10341550 0.79 CES2 (0.47) ZDHHC20CES2DNM1MEN1KMT2A
SCHEMBL24572499 0.78 TSHR (0.43) TSHRATMCYP3A4ZDHHC20ALDH1A1
SCHEMBL24572131 0.78 TSHR (0.43) TSHRATMCYP3A4ZDHHC20ALDH1A1
SCHEMBL1377069 0.76 TSHR (0.42) TSHRATMCYP3A4ALDH1A1CES2

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-2020264490-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-30 WO disclosed