SCHEMBL30992907

SCHEMBL30992907

COC(=O)c1cccc(/C=C/CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 5/20 0.48
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
CYP4F2 P78329 3/20 0.40
CYP4A11 Q02928 3/20 0.40
CACNA1B Q00975 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL31022932 0.89 TTR (0.45) P4HBMAPTCACNA1BHDAC3HDAC1
SCHEMBL5637685 0.85 MEN1 (0.48) MEN1KMT2AMAPTHDAC3HDAC1
SCHEMBL5637687 0.85 MEN1 (0.48) MEN1KMT2AMAPTHDAC3HDAC1
SCHEMBL14499623 0.85 MEN1 (0.48) MEN1KMT2AMAPTHDAC3HDAC1
SCHEMBL5158237 0.82 MAOB (0.49) RAB9ANPC1
SCHEMBL8467720 0.82 MAOB (0.49) RAB9ANPC1
SCHEMBL28669374 0.81 HTT (0.48) P4HBMEN1KMT2AMAPTLMNA
SCHEMBL8802996 0.80 RAF1 (0.39) MAPTCYP4F2CYP4A11CACNA1BHDAC3
SCHEMBL28357433 0.80 P4HB (0.42) P4HBGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL23705885 0.79 P4HB (0.42) P4HBGRIN2DGRIN3BGRIN1GRIN2A

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
WO-2024130095-A9 COMPOUNDS AND COMPOSITIONS AS CBP/P300 DEGRADERS AND USES THEREOF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-08-02 WO disclosed
WO-2024130095-A1 COMPOUNDS AND COMPOSITIONS AS CBP/P300 DEGRADERS AND USES THEREOF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-06-20 WO disclosed