SCHEMBL28838579

SCHEMBL28838579

CC(C)C(C(=O)OCc1ccccc1)N(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.45
GPR119 Q8TDV5 1/20 0.45
BACE1 P56817 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
P2RX7 Q99572 4/20 0.43
STS P08842 1/20 0.43
TLR9 Q9NR96 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
ACHE P22303 1/20 0.42

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
SCHEMBL23342685 1.00 MEN1 (0.51) MEN1KMT2AMAPTL3MBTL1GPR119
SCHEMBL23298099 0.86 MEN1 (0.41) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL23298100 0.86 MEN1 (0.41) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL30419761 0.85 PDK1 (0.42) MEN1KMT2AMAPTL3MBTL1GPR119
SCHEMBL21699513 0.85 MEN1 (0.47) MEN1KMT2AMAPTL3MBTL1GPR119
SCHEMBL17567266 0.85 MEN1 (0.47) MEN1KMT2AMAPTL3MBTL1GPR119
SCHEMBL29543052 0.83 TSHR (0.46) MEN1KMT2AL3MBTL1ALDH1A1POLB
SCHEMBL31703718 0.82 KMT2A (0.57) MEN1KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL31228320 0.82 TACR1 (0.43) MEN1KMT2AMAPTL3MBTL1GPR119
SCHEMBL25203184 0.81 POLB (0.45) MAPTL3MBTL1ALDH1A1POLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116209438-A Treatment of malignant diseases with SHP2 mutations using SOS1 inhibitors 锐新医药公司 2023-06-02 CN disclosed
CN-115916194-A Methods for delaying, preventing and treating acquired resistance to RAS inhibitors 锐新医药公司 2023-04-04 CN disclosed
CN-115873020-A RAS inhibitors 锐新医药公司 2023-03-31 CN disclosed
CN-114901366-A RAS inhibitors 锐新医药公司 2022-08-12 CN disclosed