SCHEMBL24873121

SCHEMBL24873121

CC(C)(C)OC(=O)C(C)(C)Oc1cccc(N2CCCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GPR119 Q8TDV5 3/20 0.44
MAPT P10636 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
FAAH O00519 1/20 0.41
BCL9 O00512 7/20 0.41
CTNNB1 P35222 7/20 0.41
NOTUM Q6P988 1/20 0.40
QSOX1 O00391 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 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
SCHEMBL31258392 0.85 NR1H2 (0.48) GPR119BCL9CTNNB1NOTUM
SCHEMBL24872972 0.85 PPARA (0.54) ALDH1A1KDM4EMEN1GAAHPGD
SCHEMBL24873112 0.84 BCL9 (0.46) GPR119BCL9CTNNB1NOTUM
SCHEMBL30609810 0.84 BCL9 (0.46) GPR119BCL9CTNNB1NOTUM
SCHEMBL23124821 0.83 NOTUM (0.59) BCL9CTNNB1NOTUM
SCHEMBL31258386 0.83 NOTUM (0.59) BCL9CTNNB1NOTUM
SCHEMBL23124851 0.83 NOTUM (0.59) BCL9CTNNB1NOTUM
SCHEMBL31258377 0.81 BCL9 (0.49) BCL9CTNNB1NOTUM
SCHEMBL30609813 0.80 MAP4K4 (0.47) BCL9CTNNB1
SCHEMBL31258404 0.80 FFAR4 (0.42) ALDH1A1KDM4EMEN1GAAHPGD

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-2023077057-A1 SMALL-MOLECULAR INHIBITORS FOR THE BETA-CATENIN/ B-CELL LYMPHOMA 9 PROTEIN-PROTEIN INTERACTION H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2023-05-04 WO disclosed
WO-2023280177-A1 SMALL MOLECULE COMPOUND TARGETING BCL9/β-CATENIN INTERACTION 南通聚太生物科技有限公司 2023-01-12 WO disclosed