SCHEMBL24674898

SCHEMBL24674898

O=C(O)CCCOCCOCCOCCCCCCOCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
EPHX2 P34913 2/20 0.51
HDAC3 O15379 1/20 0.50
MAPK1 P28482 1/20 0.50
ADRA1A P35348 1/20 0.50
HDAC4 P56524 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HDAC1 Q13547 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48

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
SCHEMBL31482293 0.97 MAPT (0.56) MAPTRXFP1EPHX2HDAC3MAPK1
SCHEMBL31482287 0.97 MAPT (0.56) MAPTRXFP1EPHX2HDAC3MAPK1
SCHEMBL29132549 0.97 MAPT (0.56) MAPTRXFP1EPHX2HDAC3MAPK1
SCHEMBL22367410 0.97 SMN1; SMN2 (0.53) MAPTRXFP1EPHX2HDAC3MAPK1
SCHEMBL25801992 0.95 MAPT (0.53) MAPTRXFP1EPHX2HDAC3MAPK1
SCHEMBL2871485 0.93 MAPT (0.59) MAPTRXFP1EPHX2HDAC3MAPK1
SCHEMBL1008067 0.93 MAPT (0.59) MAPTRXFP1EPHX2HDAC3MAPK1
SCHEMBL1007119 0.93 MAPT (0.59) MAPTRXFP1EPHX2HDAC3MAPK1
SCHEMBL2867823 0.93 MAPT (0.59) MAPTRXFP1EPHX2HDAC3MAPK1
SCHEMBL5508985 0.93 MAPT (0.59) MAPTRXFP1EPHX2HDAC3MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022159688-A9 DEGRADERS OF GRK2 AND USES THEREOF SONATA THERAPEUTICS, INC. (US) 2023-09-21 WO disclosed
WO-2023129564-A1 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2023-07-06 WO disclosed
WO-2022159688-A1 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2022-07-28 WO disclosed