SCHEMBL28009406

SCHEMBL28009406

COC(=O)[C@@H]1CNC(=O)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA7 P36544 1/20 0.46
KMT2A Q03164 1/20 0.38
ACACB O00763 1/20 0.36
F2 P00734 3/20 0.36
F10 P00742 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL22279768 1.00 BRD4 (0.46) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1026647 1.00 BRD4 (0.46) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
Acetic Acid Methyl Ester SCHEMBL9151328 0.94 BRD4 (0.42) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
Propene SCHEMBL7744011 0.91 BRD4 (0.40) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
Dodecanol SCHEMBL28693387 0.83 SLC5A1 (0.41) BRD4KMT2APDE4APDE4BPDE4C
SCHEMBL16612384 0.81 BRD4 (0.43) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2153275 0.81 BRD4 (0.43) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL8262495 0.81 CHRNB2 (0.43) BRD4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL28009383 0.81 MAPK1 (0.39) ACACBSCN8A
SCHEMBL14058597 0.79 ALDH1A1 (0.41) KMT2AACACBPDE4APDE4BPDE4C

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-104447947-A Process for producing pidotimod CHENGDU YILUKANG MEDICAL TECHNOLOGY & SERVICE CO L 2015-03-25 CN claimed