SCHEMBL28385294

SCHEMBL28385294

CCN1CCCC1C(OC)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DRD2 P14416 1/20 0.36
ACHE P22303 1/20 0.36
CHRM3 P20309 1/20 0.36
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35

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
SCHEMBL13067181 0.80 CHRNB4 (0.45) LMNADRD2CHRM3ATML3MBTL1
SCHEMBL13105272 0.80 CHRNB4 (0.45) LMNADRD2CHRM3ATML3MBTL1
SCHEMBL19362506 0.80 CHRNB4 (0.45) LMNADRD2CHRM3ATML3MBTL1
SCHEMBL8336619 0.79 LMNA (0.56) LMNARAB9ASMN1; SMN2CHRM3ATM
SCHEMBL8336623 0.79 LMNA (0.56) LMNARAB9ASMN1; SMN2CHRM3ATM
SCHEMBL8339280 0.79 LMNA (0.56) LMNARAB9ASMN1; SMN2CHRM3ATM
SCHEMBL13096211 0.77 LMNA (0.38) LMNACHRM3ATML3MBTL1
SCHEMBL10123845 0.75 LMNA (0.51) LMNACHRM3ATML3MBTL1
SCHEMBL19275751 0.71 NUDT1 (0.35) DRD2L3MBTL1
SCHEMBL8727525 0.69 LMNA (0.37) LMNASMN1; SMN2CHRM3ATML3MBTL1

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-111039770-A Type (E) solanone, preparation method and application thereof 云南中烟工业有限责任公司 2020-04-21 CN disclosed