SCHEMBL31070592

SCHEMBL31070592

CC(C)(C)OC(=O)N1Cc2ccc(-c3cn(C(=O)OC(C)(C)C)c4ccccc34)cc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
PIM1 P11309 1/20 0.47
MARK3 P27448 1/20 0.47
MAP4K2 Q12851 1/20 0.47
CAMK2B Q13554 1/20 0.47
PIM3 Q86V86 1/20 0.47
PIM2 Q9P1W9 1/20 0.47
HDAC1 Q13547 1/20 0.47
BRD4 O60885 1/20 0.45
CREBBP Q92793 1/20 0.45
ESR2 Q92731 1/20 0.44
NR1H2 P55055 1/20 0.43
ACHE P22303 1/20 0.43
EPHX1 P07099 1/20 0.42
ABHD6 Q9BV23 1/20 0.42
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
CHRM2 P08172 1/20 0.41

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
SCHEMBL17096987 0.86 HDAC1 (0.44) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL17102229 0.81 HDAC1 (0.43) HDAC1ESR2NR1H2ABHD6DDB1
SCHEMBL27257521 0.79 L3MBTL1 (0.53) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL30564186 0.79 PIM1 (0.46) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL23496956 0.79 L3MBTL1 (0.53) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL30719630 0.79 L3MBTL1 (0.53) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL31070535 0.79 ABHD6 (0.63) HDAC1ESR2NR1H2ABHD6DDB1
SCHEMBL31070528 0.78 HDAC1 (0.44) HDAC1ESR2NR1H2ABHD6DDB1
SCHEMBL31070534 0.78 HDAC1 (0.44) HDAC1ESR2NR1H2ABHD6DDB1
SCHEMBL5871186 0.78 L3MBTL1 (0.51) L3MBTL1PIM1MARK3MAP4K2CAMK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118515600-A Isoindoline compound and medical application thereof 中国科学院上海药物研究所 2024-08-20 CN disclosed