SCHEMBL29008685

SCHEMBL29008685

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

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.33
CA2 P00918 1/20 0.33
CA12 O43570 2/20 0.32
CA9 Q16790 2/20 0.32
ZDHHC7 Q9NXF8 1/20 0.32
EPHX1 P07099 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
LMNA P02545 2/20 0.30
MEN1 O00255 1/20 0.30
FAAH O00519 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
EPHX2 P34913 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
SCHEMBL20780283 0.82 EPHX2 (0.39) CA1CA2CA12CA9ZDHHC7
SCHEMBL28488965 0.81 GPR84 (0.36) CA1CA2EPHX2
SCHEMBL3669268 0.80 CA1 (0.35) CA1CA2CA12CA9MMP1
SCHEMBL8919672 0.78 LMNA (0.37) LMNAMEN1FAAHMAPK1KMT2A
SCHEMBL20165457 0.78 GAA (0.37) CA1CA2ZDHHC7MEN1KMT2A
SCHEMBL31126902 0.72 CA1 (0.38) CA1CA2CA12CA9ZDHHC7
SCHEMBL21159624 0.70 ALDH1A1 (0.40) CA1CA2CA12CA9MMP1
SCHEMBL18125071 0.70 CA1 (0.37) CA1CA2CA12CA9LMNA
SCHEMBL29008707 0.69 CA12 (0.44) CA1CA2CA12CA9EPHX1
SCHEMBL304950 0.69 CA1 (0.52) CA1CA2CA12CA9EPHX1

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