SCHEMBL11057717

SCHEMBL11057717

CN(CCCCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.37
MMP2 P08253 10/20 0.37
MMP9 P14780 10/20 0.37
MMP8 P22894 10/20 0.37
MMP13 P45452 10/20 0.37
CA2 P00918 9/20 0.37
CA1 P00915 8/20 0.37
F2 P00734 4/20 0.34
PRSS1 P07477 4/20 0.34
PRSS2 P07478 4/20 0.34
PRSS3 P35030 4/20 0.34

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
SCHEMBL154402 1.00 MMP1 (0.37) MMP1MMP2MMP9MMP8MMP13
SCHEMBL7638386 0.98 CA2 (0.36) MMP1MMP2MMP9MMP8MMP13
SCHEMBL7638909 0.98 CA2 (0.35) MMP1MMP2MMP9MMP8MMP13
SCHEMBL23560633 0.97 CA2 (0.34) MMP1MMP2MMP9MMP8MMP13
SCHEMBL6259606 0.95 CA2 (0.38) MMP1MMP2MMP9MMP8MMP13
SCHEMBL8059110 0.88 CA2 (0.40) MMP1MMP2MMP9MMP8MMP13
SCHEMBL10408556 0.88 CA2 (0.40) MMP1MMP2MMP9MMP8MMP13
SCHEMBL8859625 0.88 CA2 (0.40) MMP1MMP2MMP9MMP8MMP13
SCHEMBL6338088 0.88 CA2 (0.40) MMP1MMP2MMP9MMP8MMP13
SCHEMBL8859647 0.88 CA2 (0.40) MMP1MMP2MMP9MMP8MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4451619-A COPOLYMERIZING AN ALKENYLAZLACTONE, RING OPENING WITH NUCLEOPHILE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-05-29 US claimed
EP-0105666-A1 Method of hydrophilizing or hydrophobizing polymers MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-04-18 EP claimed
US-4451619-A COPOLYMERIZING AN ALKENYLAZLACTONE, RING OPENING WITH NUCLEOPHILE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-05-29 US disclosed
EP-0105666-A1 Method of hydrophilizing or hydrophobizing polymers MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-04-18 EP disclosed