SCHEMBL28243791

SCHEMBL28243791

CC1(C(N)=O)CCC(C(N)=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 3/20 0.38
GAA P10253 1/20 0.36
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
FFAR3 O14843 1/20 0.33
CYP2D6 P10635 1/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
APEX1 P27695 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GRM2 Q14416 2/20 0.32
GRM3 Q14832 2/20 0.32
GRM4 Q14833 2/20 0.32
CYP1A2 P05177 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 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
SCHEMBL19919700 0.84 FFAR3 (0.54) SMN1; SMN2TDP1GAAFFAR3GRM2
SCHEMBL2232346 0.81 SMN1; SMN2 (0.43) SMN1; SMN2TDP1GAAKMT2AKDM4E
SCHEMBL20855519 0.79 SMN1; SMN2 (0.40) SMN1; SMN2TDP1GAAKMT2AMAPT
SCHEMBL16841477 0.79 SMN1; SMN2 (0.42) SMN1; SMN2TDP1GAAKMT2AKDM4E
SCHEMBL19315873 0.79 SMN1; SMN2 (0.42) SMN1; SMN2TDP1GAAKMT2AKDM4E
SCHEMBL19706806 0.79 TDP1 (0.35) SMN1; SMN2TDP1FFAR3PKML3MBTL1
SCHEMBL16841467 0.79 SMN1; SMN2 (0.42) SMN1; SMN2TDP1GAAKMT2AKDM4E
SCHEMBL13232149 0.79 SMN1; SMN2 (0.42) SMN1; SMN2TDP1GAAKMT2AKDM4E
SCHEMBL14738152 0.79 TDP1 (0.35) SMN1; SMN2TDP1FFAR3PKML3MBTL1
SCHEMBL14738624 0.79 TDP1 (0.35) SMN1; SMN2TDP1FFAR3PKML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116916924-A MALT1 modulators and uses thereof 稀有生物科学股份有限公司 2023-10-20 CN disclosed
CN-109665203-A Tubular package 旭化成株式会社 2019-04-23 CN disclosed
CN-108602595-A Cylindrical molding, barrier property mouth plug and the container with barrier property mouth plug 旭化成株式会社 2018-09-28 CN disclosed