SCHEMBL28477703

SCHEMBL28477703

CCCCCc1cc(B(O)O)c(CCCCC)c(CCCCC)c1CCCCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 7/20 0.53
LPL P06858 6/20 0.42
PTGS2 P35354 5/20 0.41
CYP3A4 P08684 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
MGLL Q99685 1/20 0.41
CYP19A1 P11511 1/20 0.40
ALOX5 P09917 4/20 0.40
TYR P14679 2/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 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
SCHEMBL15324096 0.82 CYP19A1 (0.44) LIPGPTGS2CYP3A4CYP19A1ALOX5
SCHEMBL7031877 0.80 LIPG (0.66) LIPGLPLPTGS2CYP3A4TRPV1
SCHEMBL17044883 0.80 LIPG (0.66) LIPGLPLPTGS2CYP3A4TRPV1
SCHEMBL560421 0.80 LIPG (0.66) LIPGLPLPTGS2CYP3A4TRPV1
SCHEMBL250347 0.80 ALOX5 (0.47) LIPGPTGS2CYP3A4CYP19A1ALOX5
SCHEMBL29037315 0.80 ALOX5 (0.47) LIPGPTGS2CYP3A4CYP19A1ALOX5
SCHEMBL29414438 0.78 ALOX5 (0.46) LIPGPTGS2CYP3A4CYP19A1ALOX5
SCHEMBL29659437 0.78 ALOX5 (0.46) LIPGPTGS2CYP3A4CYP19A1ALOX5
SCHEMBL15271341 0.77 CYP19A1 (0.54) PTGS2CYP3A4CYP19A1ALOX5TYR
Benzene SCHEMBL9352221 0.76 LIPG (0.46) LIPGPTGS2CYP3A4CYP19A1ALOX5

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113637131-B Perfluoroalkyl chain modified covalent organic framework, preparation method and application thereof 南京理工大学 2022-06-24 CN claimed
CN-113637131-A Perfluoroalkyl chain modified covalent organic framework, preparation method and application thereof 南京理工大学 2021-11-12 CN claimed
CN-113265057-A Covalent-organic framework material and preparation method thereof 台州学院 2021-08-17 CN claimed
CN-111875761-B Organic porous framework polymer based on tetraphenylethylene structure and synthetic method thereof 台州学院 2022-10-18 CN disclosed
CN-113637131-B Perfluoroalkyl chain modified covalent organic framework, preparation method and application thereof 南京理工大学 2022-06-24 CN disclosed
CN-113637131-A Perfluoroalkyl chain modified covalent organic framework, preparation method and application thereof 南京理工大学 2021-11-12 CN disclosed
CN-113265057-A Covalent-organic framework material and preparation method thereof 台州学院 2021-08-17 CN disclosed
CN-113265057-A Covalent-organic framework material and preparation method thereof 台州学院 2021-08-17 CN disclosed
CN-111875761-A Organic porous framework polymer based on tetraphenylethylene structure and synthetic method thereof 台州学院 2020-11-03 CN disclosed