SCHEMBL29587772

SCHEMBL29587772

O=C1CCC(Sc2cccc3ccccc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.41
BCL2 P10415 2/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
HIF1A Q16665 1/20 0.35
PKM P14618 2/20 0.35
MEN1 O00255 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 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
SCHEMBL21047629 1.00 CYP19A1 (0.41) CYP19A1BCL2ALDH1A1MAPTKDM4E
SCHEMBL28282295 0.87 ALDH1A1 (0.35) CYP19A1BCL2ALDH1A1MAPTKDM4E
SCHEMBL21047601 0.86 ALDH1A1 (0.34) CYP19A1BCL2ALDH1A1MAPTKDM4E
SCHEMBL29587103 0.86 ALDH1A1 (0.34) CYP19A1BCL2ALDH1A1MAPTKDM4E
SCHEMBL29587182 0.86 ALDH1A1 (0.34) CYP19A1BCL2ALDH1A1MAPTKDM4E
SCHEMBL21049800 0.86 ALDH1A1 (0.34) CYP19A1BCL2ALDH1A1MAPTKDM4E
SCHEMBL29586341 0.86 ALDH1A1 (0.34) CYP19A1BCL2ALDH1A1MAPTKDM4E
SCHEMBL21047876 0.86 ALDH1A1 (0.34) CYP19A1BCL2ALDH1A1MAPTKDM4E
SCHEMBL2116451 0.84 BCL2 (0.43) CYP19A1BCL2ALDH1A1MAPTKDM4E
SCHEMBL2114758 0.82 BCL2 (0.44) CYP19A1BCL2ALDH1A1MAPTKDM4E

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-109563016-B Method for producing perfluoroalkyl compound using monohydroperfluoroalkane as starting material 关东电化工业株式会社 2022-05-13 CN disclosed