SCHEMBL13998615

SCHEMBL13998615

CCCCC(C)(C)NC(N)=S

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
FDPS P14324 1/20 0.33
SPHK2 Q9NRA0 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32
EPHX1 P07099 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
SCHEMBL8147040 0.78 ALDH1A1 (0.48) ALDH1A1FDPSSPHK2SPHK1EPHX1
SCHEMBL28108735 0.77 FDPS (0.35) FDPS
SCHEMBL6562571 0.77
SCHEMBL11729656 0.76 SPHK2 (0.37) ALDH1A1FDPSSPHK2SPHK1EPHX1
Hydrochloric Acid SCHEMBL4028674 0.75 EPHX1 (0.34) ALDH1A1EPHX1
SCHEMBL11788093 0.74 ALDH1A1 (0.36) ALDH1A1FDPSEPHX1
SCHEMBL10903173 0.74 FDPS (0.34) ALDH1A1FDPSEPHX1
SCHEMBL11756470 0.72 ALDH1A1 (0.47) ALDH1A1FDPSSPHK2SPHK1EPHX1
SCHEMBL19784328 0.72 SPHK2 (0.36) ALDH1A1SPHK2SPHK1
SCHEMBL1484742 0.72

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
CN-110041289-B Synthesis method of buprofezin 北京颖泰嘉和生物科技股份有限公司 2020-12-25 CN disclosed
CN-110041289-B Synthesis method of buprofezin 北京颖泰嘉和生物科技股份有限公司 2020-12-25 CN disclosed
EP-1753736-B1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN INC (US) 2008-12-17 EP disclosed