SCHEMBL14477494

SCHEMBL14477494

CC(C)C(=O)P(=O)(C(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
CA9 Q16790 1/20 0.32
TP53 P04637 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
SCHEMBL14477493 0.78 CA12 (0.31) CA12CA1CA2MMP1MMP2
SCHEMBL3469330 0.73
SCHEMBL1527255 0.71
SCHEMBL2916525 0.71 MMP2 (0.42) CA12CA1CA2MMP1MMP2
SCHEMBL2916524 0.69 LMNA (0.45) CA1CA2
SCHEMBL2990206 0.67 CA12 (0.33) CA12CA1CA2MMP1MMP2
SCHEMBL57459 0.65 CA12 (0.32) CA12CA1CA2MMP1MMP2
SCHEMBL25448175 0.64 MMP1 (0.32) CA12CA1CA2MMP1MMP2
SCHEMBL240710 0.62
SCHEMBL8383247 0.62 MMP2 (0.46) CA12CA1CA2MMP1MMP2

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
US-20140370250-A1 INKJET INK COMPOSITION, INKJET RECORDING METHOD, AND PRINTED MATERIAL FUJIFILM CORPORATION (JP) 2014-12-18 US disclosed
US-8857968-B2 Ink composition, ink container, and ink jet recording method FUJIFILM CORPORATION (JP) 2014-10-14 US disclosed
US-20130002773-A1 INK COMPOSITION, INK CONTAINER, AND INK JET RECORDING METHOD FUJIFILM CORPORATION (JP) 2013-01-03 US disclosed