SCHEMBL28209461

SCHEMBL28209461

CC(C)CN(CC(C)C)C(=O)OS

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.48
CA12 O43570 3/20 0.48
CA2 P00918 3/20 0.48
CA9 Q16790 3/20 0.48
MLYCD O95822 2/20 0.34
ALDH1A1 P00352 1/20 0.32
FPR1 P21462 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALOX12 P18054 1/20 0.30
LMNA P02545 1/20 0.30
RNPEP Q9H4A4 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
SCHEMBL306031 0.78 CA12 (0.50) CA1CA12CA2CA9MLYCD
SCHEMBL12588890 0.76 CA1 (0.48) CA1CA12CA2CA9MLYCD
SCHEMBL306030 0.76 CA1 (0.48) CA1CA12CA2CA9MLYCD
SCHEMBL10087929 0.74 CA12 (0.46) CA1CA12CA2CA9ALDH1A1
SCHEMBL6895788 0.74 CA12 (0.46) CA1CA12CA2CA9MLYCD
SCHEMBL18856294 0.74 CA12 (0.42) CA1CA12CA2CA9MLYCD
SCHEMBL20326558 0.73 CA1 (0.45) CA1CA12CA2CA9MLYCD
SCHEMBL305178 0.73 CA12 (0.45) CA1CA12CA2CA9MLYCD
SCHEMBL6893955 0.73 CA12 (0.45) CA1CA12CA2CA9MLYCD
SCHEMBL6894039 0.73 CA12 (0.45) CA1CA12CA2CA9MLYCD

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-108026230-A Antifouling composition 巴斯夫欧洲公司 2018-05-11 CN disclosed
CN-107922571-A Antifouling composition 巴斯夫欧洲公司 2018-04-17 CN disclosed