SCHEMBL22119641

SCHEMBL22119641

O=C1CC(Nc2ccc(C3CCN(C(=O)O)CC3)cc2)C(=O)N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
GAA P10253 1/20 0.50
DDB1 Q16531 8/20 0.44
CRBN Q96SW2 8/20 0.44
NAMPT P43490 3/20 0.40
IDO1 P14902 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
TP53 P04637 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37

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
SCHEMBL23539324 0.89 DDB1 (0.59) DDB1CRBNHDAC3HDAC1HDAC2
SCHEMBL22119482 0.86 DDB1 (0.44) TSHRGAADDB1CRBNIDO1
SCHEMBL28638009 0.84 DDB1 (0.64) TSHRGAADDB1CRBNNAMPT
SCHEMBL22119702 0.84 DDB1 (0.64) TSHRGAADDB1CRBNNAMPT
Trifluoroacetic Acid SCHEMBL30207617 0.83 DDB1 (0.53) DDB1CRBNHDAC3HDAC1HDAC2
SCHEMBL22144430 0.79 GAA (0.57) TSHRGAADDB1CRBNNAMPT
SCHEMBL23799146 0.78 DDB1 (0.55) DDB1CRBNHDAC3HDAC1HDAC2
SCHEMBL30376705 0.78 DDB1 (0.59) DDB1CRBNHDAC3HDAC1HDAC2
SCHEMBL6940107 0.78 GAA (0.75) TSHRGAADDB1CRBN
SCHEMBL31323602 0.76 DDB1 (0.52) DDB1CRBNNAMPTHDAC3HDAC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3897631-A1 TARGETED PROTEIN DEGRADATION C4 Therapeutics, Inc. (US) 2021-10-27 EP disclosed
WO-2020132561-A1 TARGETED PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2020-06-25 WO disclosed