SCHEMBL29924710

SCHEMBL29924710

CC(C)(C)OC(=O)N(Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.40
BACE2 Q9Y5Z0 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
KDM1A O60341 3/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HTR2A P28223 8/20 0.36
CETP P11597 2/20 0.35
HSD11B1 P28845 1/20 0.35
USP30 Q70CQ3 1/20 0.34
HDAC3 O15379 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
SCHEMBL24619373 1.00 BACE1 (0.40) BACE1BACE2NR1H4KDM1AHDAC8
SCHEMBL18416939 0.84 BACE1 (0.40) BACE1BACE2HTR2AUSP30
SCHEMBL23027967 0.80 AAK1 (0.41) BACE1BACE2NR1H4KDM1AHDAC8
SCHEMBL24619382 0.79 KDM1A (0.43) NR1H4KDM1AHDAC8HDAC6HTR2A
SCHEMBL24619710 0.79 NR1H4 (0.42) NR1H4KDM1AHDAC8HDAC6HTR2A
SCHEMBL29924747 0.79 NR1H4 (0.42) NR1H4KDM1AHDAC8HDAC6HTR2A
SCHEMBL29925353 0.79 KDM1A (0.43) NR1H4KDM1AHDAC8HDAC6HTR2A
SCHEMBL1787159 0.78 AAK1 (0.39) BACE1BACE2NR1H4HSD11B1USP30
SCHEMBL12068166 0.77 MTNR1A (0.38) BACE1BACE2USP30
SCHEMBL31224066 0.77 BACE1 (0.38) BACE1BACE2NR1H4KDM1AHDAC8

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-4274569-A1 C-MYC MRNA TRANSLATION MODULATORS AND USES THEREOF IN THE TREATMENT OF CANCER Anima Biotech Inc. (US) 2023-11-15 EP disclosed
WO-2022150316-A1 C-MYC MRNA TRANSLATION MODULATORS AND USES THEREOF IN THE TREATMENT OF CANCER ANIMA BIOTECH INC. (US) 2022-07-14 WO disclosed