SCHEMBL30833339

SCHEMBL30833339

Nc1c(O)cccc1C(=O)N1CCC[C@H]1CO

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.45
SPHK2 Q9NRA0 1/20 0.45
RAB9A P51151 1/20 0.45
TRPV1 Q8NER1 4/20 0.43
G6PD P11413 1/20 0.43
CASP7 P55210 1/20 0.43
CASP6 P55212 1/20 0.43
KCNH2 Q12809 1/20 0.42
TP53 P04637 1/20 0.42
HCRTR1 O43613 4/20 0.41
HCRTR2 O43614 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PDK2 Q15119 1/20 0.41
CYP3A4 P08684 1/20 0.41
RIPK1 Q13546 1/20 0.40

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
SCHEMBL5962884 0.85 LMNA (0.52) POLBLMNASPHK2RAB9ATRPV1
SCHEMBL12261971 0.84 POLB (0.46) POLBL3MBTL1LMNASPHK2RAB9A
SCHEMBL12260903 0.84 POLB (0.46) POLBL3MBTL1LMNASPHK2RAB9A
SCHEMBL12260915 0.81 LMNA (0.49) POLBL3MBTL1LMNASPHK2RAB9A
SCHEMBL10619316 0.79 G6PD (0.43) POLBG6PDCASP7CASP6
SCHEMBL4480837 0.77 TP53 (0.60) POLBL3MBTL1LMNASPHK2RAB9A
SCHEMBL4480840 0.77 TP53 (0.60) POLBL3MBTL1LMNASPHK2RAB9A
SCHEMBL20040339 0.76 HCRTR1 (0.67) POLBL3MBTL1LMNASPHK2TRPV1
SCHEMBL12260701 0.75 POLB (0.42) POLBL3MBTL1LMNASPHK2RAB9A
SCHEMBL8632599 0.75 HCRTR1 (0.48) POLBL3MBTL1LMNASPHK2RAB9A

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-117800972-A Chemical synthesis method of klebsiella toxin Tilimycin 南京大学 2024-04-02 CN disclosed