SCHEMBL7687995

SCHEMBL7687995

CCCCCN(CCCCC)C(=O)[C]=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA9 Q16790 3/20 0.45
CA2 P00918 1/20 0.43
ZDHHC20 Q5W0Z9 2/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.43
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP8 P22894 1/20 0.42
MGLL Q99685 1/20 0.39
CES2 O00748 4/20 0.37
CES1 P23141 4/20 0.37
DNM1 Q05193 3/20 0.37
AKR1B1 P15121 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ALDH2 P05091 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL9150740 0.93 CA12 (0.52) CA12CA1CA9CA2ZDHHC20
SCHEMBL3930936 0.80 ZDHHC20 (0.46) CA12CA1CA9CA2ZDHHC20
SCHEMBL3934493 0.78 ZDHHC20 (0.49) CA12CA1CA9CA2ZDHHC20
SCHEMBL5827268 0.75 CA12 (0.52) CA12CA1CA9CA2ZDHHC20
SCHEMBL28885759 0.74 ZDHHC20 (0.41) CA12CA1CA9CA2ZDHHC20
SCHEMBL25277341 0.73 CA12 (0.54) CA12CA1CA9CA2ZDHHC20
SCHEMBL25278271 0.73 CA12 (0.54) CA12CA1CA9CA2ZDHHC20
SCHEMBL1829048 0.73 CA12 (0.50) CA12CA1CA9CA2ZDHHC20
SCHEMBL25220731 0.73 CA12 (0.54) CA12CA1CA9CA2ZDHHC20
SCHEMBL13622903 0.73 CA12 (0.54) CA12CA1CA9CA2ZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002501515-A 2002-01-15 JP claimed
US-6313344-B1 PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-11-06 US claimed
EP-0984923-A1 O-BENZYL OXIME ETHERS AND THEIR USE AS PESTICIDES Novartis AG (CH) 2000-03-15 EP claimed
WO-1998054125-A1 O-BENZYL OXIME ETHERS AND THEIR USE AS PESTICIDES NOVARTIS AG (CH) 1998-12-03 WO claimed
US-6313344-B1 PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-11-06 US disclosed
EP-0984923-A1 O-BENZYL OXIME ETHERS AND THEIR USE AS PESTICIDES Novartis AG (CH) 2000-03-15 EP disclosed
WO-1998054125-A1 O-BENZYL OXIME ETHERS AND THEIR USE AS PESTICIDES NOVARTIS AG (CH) 1998-12-03 WO disclosed