SCHEMBL29157017

SCHEMBL29157017

CCCN(C=C(C)C(=O)OCC)CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.40
CYP2C9 P11712 1/20 0.38
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 5/20 0.35
LMNA P02545 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 2/20 0.33
CYP2D6 P10635 2/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CYP2C19 P33261 1/20 0.33
FAAH O00519 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TRPA1 O75762 1/20 0.32
TSHR P16473 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
SCHEMBL8081440 0.93 GLO1 (0.42) GLO1CYP2C9NPSR1ALDH1A1LMNA
SCHEMBL373413 0.89 GLO1 (0.45) GLO1CYP2C9NPSR1ALDH1A1LMNA
SCHEMBL28665056 0.87 FAAH (0.42) GLO1CYP2C9NPSR1MAPTAPOBEC3A
SCHEMBL2834865 0.82 GLO1 (0.40) GLO1CYP2C9NPSR1ALDH1A1LMNA
SCHEMBL1853323 0.81 FAAH (0.41) GLO1CYP2C9NPSR1ALDH1A1LMNA
SCHEMBL8087663 0.80 HCAR2 (0.36) ALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL516387 0.78 HCAR2 (0.37) GLO1ALDH1A1LMNAMAPTMEN1
SCHEMBL15664746 0.75 ALDH1A1 (0.48) NPSR1ALDH1A1LMNAMAPTCYP2D6
SCHEMBL6050203 0.75 GLO1 (0.40) GLO1CYP2C9NPSR1ALDH1A1LMNA
SCHEMBL134678 0.75 CYP2C9 (0.56) GLO1CYP2C9NPSR1ALDH1A1LMNA

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-117547519-A Lymph node targeting nanoparticle based on STING agonist and preparation method and application thereof 山东大学 2024-02-13 CN claimed
CN-117547519-A Lymph node targeting nanoparticle based on STING agonist and preparation method and application thereof 山东大学 2024-02-13 CN disclosed