SCHEMBL28670944

SCHEMBL28670944

CC(=O)NCCCCCCC1C(N)CC(C(=O)O)C1O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ PAOX Q6QHF9 3/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ GABRR1 P24046 1/20 0.37
▸ POLB P06746 1/20 0.33
▸ NAMPT P43490 1/20 0.32
▸ NEU2 Q9Y3R4 1/20 0.32
▸ HPSE Q9Y251 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL28672657 0.87 KDM4E (0.41) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL4423884 0.83 GABRR1 (0.32) GABRR1NEU2
SCHEMBL28674610 0.82 KDM4E (0.39) KDM4EMAPK1HIF1APAOXADRA1A
Hydrochloric Acid SCHEMBL4412458 0.82 GABRR1 (0.31) GABRR1NEU2
SCHEMBL28930582 0.74 KDM4E (0.38) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL7834563 0.69 GABRR1 (0.45) GABRR1
Hydrochloric Acid SCHEMBL7232529 0.68 GABRR1 (0.44) GABRR1
Hydrochloric Acid SCHEMBL7233163 0.68 GABRR1 (0.44) GABRR1
SCHEMBL7231029 0.67 NEU2 (0.34) GABRR1NEU2
SCHEMBL14740132 0.66 KDM4E (1.00) KDM4EMAPK1HIF1APAOXADRA1A

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-113880732-A Peramivir impurity A and impurity C as well as preparation method and application thereof 湖南凯铂生物药业有限公司 2022-01-04 — — CN claimed
CN-113880732-A Peramivir impurity A and impurity C as well as preparation method and application thereof 湖南凯铂生物药业有限公司 2022-01-04 — — CN disclosed
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