SCHEMBL28645504

SCHEMBL28645504

COc1ccc(N2C(=O)CCCC2(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.60
ALDH1A1 P00352 7/20 0.53
MAPK1 P28482 1/20 0.52
GAA P10253 4/20 0.47
RAB9A P51151 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 5/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MMP13 P45452 2/20 0.43
HPGD P15428 2/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RECQL P46063 2/20 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
SCHEMBL29348907 0.82 LMNA (0.42) POLBALDH1A1GAAKMT2AMAPT
SCHEMBL29348908 0.81 TNKS (0.39) POLBALDH1A1MAPK1KMT2AMMP13
SCHEMBL29348909 0.81 MMP13 (0.51) POLBALDH1A1GAAKMT2AMMP13
SCHEMBL28658165 0.81 MMP13 (0.42) POLBALDH1A1GAAMEN1KMT2A
SCHEMBL12444397 0.76 POLB (1.00) POLBALDH1A1GAARAB9AMEN1
SCHEMBL6727253 0.72 MMP13 (0.76) POLBALDH1A1MMP13
SCHEMBL17055046 0.72 MMP13 (0.38) POLBKMT2AMMP13
SCHEMBL8305604 0.71 HTT (0.45) POLBALDH1A1MAPTMMP13TP53
SCHEMBL609306 0.70 TP53 (0.59) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL5370939 0.70 TNKS (0.43) POLBALDH1A1GAARAB9AMEN1

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