SCHEMBL29038554

SCHEMBL29038554

CC(C)CCCCCn1cccc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
MAP3K14 Q99558 1/20 0.42
KDM4E B2RXH2 1/20 0.40
CNR2 P34972 1/20 0.39
HTT P42858 1/20 0.36
MAPT P10636 3/20 0.34
ICMT O60725 1/20 0.34
CYP2D6 P10635 1/20 0.33
POLB P06746 1/20 0.33
ADRA1D P25100 1/20 0.33
MAOB P27338 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX12 P18054 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
CNR1 P21554 1/20 0.32
DEGS1 O15121 1/20 0.32
TBXAS1 P24557 1/20 0.32
RARB P10826 1/20 0.32

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
SCHEMBL6823635 0.87 LMNA (0.46) LMNAMAP3K14KDM4EHTTMAPT
SCHEMBL28137548 0.83 ICMT (0.48) LMNAMAP3K14KDM4ECNR2MAPT
SCHEMBL29038553 0.83 ICMT (0.48) LMNAMAP3K14KDM4ECNR2MAPT
SCHEMBL28740014 0.81 CNR2 (0.40) LMNAKDM4ECNR2HTTMAPT
SCHEMBL27840672 0.79 LMNA (0.47) LMNAMAP3K14KDM4ECNR2MAPT
SCHEMBL29102668 0.75 LMNA (0.50) LMNAMAP3K14KDM4ECNR2HTT
SCHEMBL27611348 0.75 LMNA (0.53) LMNAMAP3K14KDM4ECNR2MAPT
SCHEMBL28703124 0.74 HTT (0.44) LMNACNR2HTTMAPTCYP2D6
SCHEMBL31621256 0.73 CNR2 (0.41) LMNAMAP3K14KDM4ECNR2MAPT
SCHEMBL29038576 0.72 CNR1 (0.40) HTTCNR1TBXAS1RARBOPRM1

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-116479237-A Extractant, preparation method and application thereof 中国科学院过程工程研究所 2023-07-25 CN claimed
CN-116479237-A Extractant, preparation method and application thereof 中国科学院过程工程研究所 2023-07-25 CN disclosed