SCHEMBL7517631

SCHEMBL7517631

O=S(=O)(N(CCO)CCO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.42
MMP1 P03956 11/20 0.42
MMP2 P08253 11/20 0.42
MMP9 P14780 11/20 0.42
MMP8 P22894 11/20 0.42
MMP13 P45452 11/20 0.42
CA1 P00915 8/20 0.42
F2 P00734 4/20 0.39
PRSS1 P07477 4/20 0.39
PRSS2 P07478 4/20 0.39
PRSS3 P35030 4/20 0.39

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
SCHEMBL134093 1.00 CA2 (0.42) CA2MMP1MMP2MMP9MMP8
SCHEMBL770288 0.98 MMP1 (0.41) CA2MMP1MMP2MMP9MMP8
SCHEMBL132819 0.92 CA2 (0.37) CA2MMP1MMP2MMP9MMP8
SCHEMBL8859539 0.92 CA2 (0.37) CA2MMP1MMP2MMP9MMP8
SCHEMBL6336442 0.92 CA2 (0.37) CA2MMP1MMP2MMP9MMP8
SCHEMBL2887555 0.92 CA2 (0.37) CA2MMP1MMP2MMP9MMP8
SCHEMBL8859621 0.90 CA2 (0.36) CA2MMP1MMP2MMP9MMP8
SCHEMBL6337194 0.90 CA2 (0.36) CA2MMP1MMP2MMP9MMP8
SCHEMBL8859634 0.90 CA2 (0.38) CA2MMP1MMP2MMP9MMP8
SCHEMBL6347337 0.90 CA2 (0.38) CA2MMP1MMP2MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6274701-B1 AMINO RESIN 3M INNOVATIVE PROPERTIES COMPANY 2001-08-14 US claimed
EP-1177251-A1 COATING MATERIALS CONTAINING MELAMINE RESIN 3M Innovative Properties Company (US) 2002-02-06 EP disclosed
US-6274701-B1 AMINO RESIN 3M INNOVATIVE PROPERTIES COMPANY 2001-08-14 US disclosed
US-6183853-B1 COATING POROUS MATERIAL, CURING COATING OF MELAMINE COMPOUNDS AND ALCOHOLS 3M INNOVATIVE PROPERTIES COMPANY 2001-02-06 US disclosed
WO-2000066655-A1 COATING MATERIALS CONTAINING MELAMINE RESIN 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-11-09 WO disclosed