SCHEMBL23728544

SCHEMBL23728544

CCC1(C(=O)O)CCC(NNC(=O)OC(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.40
EPHX1 P07099 1/20 0.39
BTK Q06187 1/20 0.38
KMT2A Q03164 6/20 0.37
MEN1 O00255 3/20 0.37
MAPK1 P28482 1/20 0.37
APLNR P35414 1/20 0.36
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
CTSK P43235 4/20 0.33
CTSS P25774 2/20 0.33
KCNA3 P22001 1/20 0.32
TSHR P16473 1/20 0.32
KDM1A O60341 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL17048744 0.87 KMT2A (0.37) GAAEPHX1BTKKMT2AMEN1
SCHEMBL17048739 0.87 KMT2A (0.37) GAAEPHX1BTKKMT2AMEN1
SCHEMBL17048742 0.87 KMT2A (0.37) GAAEPHX1BTKKMT2AMEN1
SCHEMBL3327036 0.82 BTK (0.46) GAAEPHX1BTKKMT2AL3MBTL1
SCHEMBL3326571 0.82 BTK (0.46) GAAEPHX1BTKKMT2AL3MBTL1
SCHEMBL14169680 0.82 BTK (0.46) GAAEPHX1BTKKMT2AL3MBTL1
SCHEMBL15600327 0.80 GAA (0.44) GAAEPHX1BTKKMT2AMEN1
SCHEMBL2074992 0.79 GAA (0.51) GAAEPHX1BTKKMT2AMEN1
SCHEMBL6344084 0.79 GAA (0.43) GAAEPHX1BTKKMT2AMEN1
SCHEMBL31168732 0.79 GAA (0.43) GAAEPHX1BTKKMT2AMEN1

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-4100004-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2022-12-14 EP disclosed
WO-2021158634-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-08-12 WO disclosed