SCHEMBL28150641

SCHEMBL28150641

CCCCCCS(=O)(=O)OC(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.47
FAAH O00519 2/20 0.46
LMNA P02545 2/20 0.39
CES1 P23141 4/20 0.39
CA1 P00915 5/20 0.38
CA9 Q16790 5/20 0.38
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38

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
SCHEMBL28014312 1.00 CA2 (0.47) CA2FAAHLMNACES1CA1
SCHEMBL28224982 1.00 CA2 (0.47) CA2FAAHLMNACES1CA1
Fluoride SCHEMBL28152969 0.98 CA2 (0.46) CA2FAAHLMNACES1CA1
SCHEMBL17922766 0.91 ALDH1A1 (0.40) CA2FAAHLMNACA1CA9
SCHEMBL30350824 0.89 ALDH1A1 (0.46) CA2CA1CA9
SCHEMBL14778281 0.87 CA2 (0.47) CA2FAAHCES1CA1CA9
SCHEMBL14778402 0.84 CA2 (0.44) CA2FAAHCES1CA1CA9
SCHEMBL14836923 0.84 ALDH1A1 (0.46) CA2CA1CA9
SCHEMBL14779696 0.83 CA2 (0.44) CA2FAAHCES1CA1CA9
SCHEMBL5102828 0.83 CA2 (0.48) CA2FAAHCES1CA1CA9

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-106905197-A A kind of fluorine-containing propene acid amides and its synthetic method 江苏理文化工有限公司 2017-06-30 CN claimed
CN-106905201-A A kind of double methacrylate and its synthetic method containing many fluorine chains 江苏理文化工有限公司 2017-06-30 CN disclosed
CN-106905197-A A kind of fluorine-containing propene acid amides and its synthetic method 江苏理文化工有限公司 2017-06-30 CN disclosed