SCHEMBL9561593

SCHEMBL9561593

CCC(C)C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33

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
SCHEMBL19160333 0.80 FAAH (0.39)
SCHEMBL2221105 0.75 THRB (0.42) CA1CA2MMP1MMP2MMP9
SCHEMBL9172977 0.74 CHRNB4 (0.30)
SCHEMBL409612 0.74 CHRNB4 (0.30)
SCHEMBL19320230 0.72 TDP1 (0.38)
SCHEMBL15992208 0.72 MMP1 (0.41) CA1CA2MMP1MMP2MMP8
SCHEMBL8080843 0.72 CYP2C19 (0.37) CA1CA2MMP1MMP2MMP9
SCHEMBL7816152 0.71 THRB (0.36) CA1CA2MMP1MMP2MMP9
SCHEMBL15826449 0.71 TDP1 (0.36)
SCHEMBL25481971 0.71

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-5250740-A Precursors for metal fluoride deposition and use thereof THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1993-10-05 US disclosed
US-5116785-A METHOD OF DEPOSITING METAL FLUORIDE THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITIAN AND NORTHERN IRELAND (GB) 1992-05-26 US disclosed
EP-0063482-A2 Production of immune interferon and its mRNA MELOY LABORATORIES, INC. (US) 1982-10-27 EP disclosed