SCHEMBL28653281

SCHEMBL28653281

COc1ccc(C2CC(C)(C)C(C)(C)NC2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.52
CRBN Q96SW2 1/20 0.52
MMP1 P03956 1/20 0.43
MMP13 P45452 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 4/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
GLA P06280 1/20 0.40
HSD11B1 P28845 1/20 0.39
CYP19A1 P11511 1/20 0.39
TP53 P04637 1/20 0.39
MAP2K3 P46734 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL30823799 0.83 DDB1 (0.56) DDB1CRBNKMT2AMEN1LMNA
SCHEMBL28644757 0.83 DDB1 (0.56) DDB1CRBNKMT2AMEN1LMNA
SCHEMBL28645239 0.81 TDP1 (0.44) DDB1CRBNMMP1MMP13LMNA
SCHEMBL28926766 0.81 DDB1 (0.45) DDB1CRBNKMT2ALMNATSHR
SCHEMBL28653243 0.77 MMP13 (0.43) DDB1CRBNMMP13KMT2AMEN1
SCHEMBL3172306 0.77 DDB1 (0.50) DDB1CRBNMMP1MMP13LMNA
SCHEMBL30823806 0.75 DDB1 (0.51) DDB1CRBNMMP1MMP13LMNA
SCHEMBL27965543 0.71 CRBN (0.71) DDB1CRBNMMP1MMP13LMNA
SCHEMBL28648510 0.71 DDB1 (0.47) DDB1CRBNMMP1MMP13LMNA
SCHEMBL28652610 0.71 DDB1 (0.47) DDB1CRBNMMP1MMP13KMT2A

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
CN-113461599-B Process for preparing piperidone compounds 南方科技大学 2024-02-09 CN disclosed
CN-113461599-A Process for producing piperidone compound 南方科技大学 2021-10-01 CN disclosed