SCHEMBL25529753

SCHEMBL25529753

CCN(CC)CCCC(=O)Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
TP53 P04637 1/20 0.54
TSHR P16473 2/20 0.50
PAOX Q6QHF9 1/20 0.44
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
NPSR1 Q6W5P4 1/20 0.37
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 2/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAOB P27338 1/20 0.33

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
Hydrochloric Acid SCHEMBL31326634 0.98 ALDH1A1 (0.52) ALDH1A1TP53TSHRPAOXAPOBEC3A
SCHEMBL1771780 0.91 ALDH1A1 (0.58) ALDH1A1TP53TSHRPAOXAPOBEC3A
SCHEMBL4459209 0.85 TSHR (0.50) ALDH1A1TP53TSHRPAOXAPOBEC3A
Hydrochloric Acid SCHEMBL3805924 0.83 TSHR (0.48) ALDH1A1TP53TSHRPAOXAPOBEC3A
SCHEMBL1147864 0.80 PAOX (0.47) ALDH1A1PAOXAPOBEC3AAPOBEC3GNPSR1
SCHEMBL149151 0.78 AKR1B1 (0.50) ALDH1A1TSHRPAOXKDM5AKDM4C
SCHEMBL177754 0.78 NPSR1 (0.47) ALDH1A1TP53PAOXAPOBEC3AAPOBEC3G
SCHEMBL164414 0.78 PAOX (0.66) ALDH1A1PAOXAPOBEC3AAPOBEC3GNPSR1
SCHEMBL28166308 0.77 TSHR (0.78) ALDH1A1TP53TSHR
Hydrochloric Acid SCHEMBL9078509 0.76 KDM5A (0.49) ALDH1A1TSHRPAOXKDM5AKDM4C

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
WO-2023091490-A1 NOVEL IONIZABLE LIPIDS AND LIPID NANOPARTICLES AND METHODS OF USING THE SAME SENDA BIOSCIENCES, INC. (US) 2023-05-25 WO disclosed
CN-109438445-B 8-substituted 1, 6-diazabenzanthrone derivative and synthesis method and application thereof GUANGXI NORMAL UNIVERSITY (CN) 2021-06-22 CN disclosed
CN-109456328-B 11-substituted 1, 6-diazabenzanthrone derivative and synthesis method and application thereof GUANGXI NORMAL UNIVERSITY (CN) 2021-06-22 CN disclosed