SCHEMBL29008706

SCHEMBL29008706

CCCCN(C)C(=O)OC(C)CI

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.34
LMNA P02545 2/20 0.33
EPHX2 P34913 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA9 Q16790 2/20 0.32
TSHR P16473 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
MDM2 Q00987 1/20 0.31
FAAH O00519 3/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP8 P22894 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL10127341 0.82 LMNA (0.46) ACHELMNAEPHX2CA12CA1
SCHEMBL23847130 0.75 LMNA (0.52) ACHELMNAEPHX2MAOAMAOB
SCHEMBL10127585 0.75 LMNA (0.52) ACHELMNAEPHX2MAOAMAOB
SCHEMBL8919672 0.74 LMNA (0.37) LMNAEPHX2FAAHALDH1A1CNR1
SCHEMBL11301771 0.71 CHRNB2 (0.40) ACHEEPHX2CA12CA1CA9
SCHEMBL8064652 0.71 ALDH1A1 (0.41) ACHELMNAEPHX2CA12CA1
SCHEMBL27524736 0.71 FAAH (0.42) EPHX2CA1CHRNB2CHRNB4CHRNA3
SCHEMBL21939321 0.70 ALDH1A1 (0.39) ACHELMNAEPHX2CA12CA1
SCHEMBL14175084 0.70 LMNA (0.39) ACHELMNACA12CA9TSHR
SCHEMBL513732 0.70 CA12 (0.39) ACHELMNAEPHX2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113702516-B Detection method of antibacterial and mildew-proof agent in bamboo and wood products 广东产品质量监督检验研究院(国家质量技术监督局广州电气安全检验所、广东省试验认证研究院、华安实验室) 2023-06-02 CN disclosed