SCHEMBL28437262

SCHEMBL28437262

CCCCCOCCCCC.c1ccc2c(-c3cccc4ccccc34)cccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.48
CNR1 P21554 5/20 0.47
CYP2C9 P11712 1/20 0.47
TLR8 Q9NR97 1/20 0.46
HTR1B P28222 3/20 0.45
HTR1D P28221 1/20 0.43
GAA P10253 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RCE1 Q9Y256 1/20 0.42
SLC6A4 P31645 1/20 0.41

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
Decane SCHEMBL9931523 0.87 CNR1 (0.51) CNR2CNR1TLR8GAAKDM4E
Tetradecane SCHEMBL9931525 0.87 CNR1 (0.51) CNR2CNR1TLR8GAAKDM4E
SCHEMBL29112012 0.82 LTA4H (0.48) MEN1ALDH1A1HTTKMT2A
SCHEMBL28047816 0.81 ALDH1A1 (0.55) CNR2CNR1CYP2C9TLR8HTR1B
SCHEMBL27645176 0.81 BCHE (0.49) CNR2CNR1CYP2C9HTR1B
SCHEMBL14853049 0.80 TLR8 (0.50) CNR2CNR1CYP2C9TLR8HTR1B
SCHEMBL9011586 0.79 HTR1B (0.66) CNR2CNR1HTR1BHTR1DSLC6A4
SCHEMBL9011564 0.79 HTR1B (0.66) CNR2CNR1HTR1BHTR1DSLC6A4
Water SCHEMBL9245240 0.79 BCHE (0.47) CNR2CNR1CYP2C9HTR1B
SCHEMBL18854654 0.79 HTR1B (0.61) CNR2CNR1CYP2C9HTR1BHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111363148-B Preparation method of binaphthyl network type polyimide resin and film and application of binaphthyl network type polyimide resin and film in gas separation 天津理工大学 2022-08-23 CN disclosed
CN-111363148-A Preparation method of binaphthyl network type polyimide resin and film and application of binaphthyl network type polyimide resin and film in gas separation 天津理工大学 2020-07-03 CN disclosed