SCHEMBL6731916

SCHEMBL6731916

C[S+](CC(=O)C(C)(C)C)C1CCCCC1.O=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 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31

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
SCHEMBL6736708 0.99 ALDH1A1 (0.30)
SCHEMBL6550524 0.88 CA2 (0.33) CA1CA2MMP1MMP2MMP9
SCHEMBL6549406 0.86 CA1 (0.31) CA1CA2MMP1MMP2MMP9
Trifluoromethanesulfonic Acid SCHEMBL7160158 0.86 ALDH1A1 (0.33)
SCHEMBL6726319 0.86 CA1 (0.31) CA1CA2MMP1MMP2MMP9
SCHEMBL6549509 0.86 CA1 (0.31) CA1CA2MMP1MMP2MMP9
SCHEMBL6723477 0.86 CA1 (0.31) CA1CA2MMP1MMP2MMP9
SCHEMBL6548780 0.85 CA1 (0.31) CA1CA2MMP1MMP2MMP9
SCHEMBL6725740 0.84
SCHEMBL6549881 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040224251-A1 Positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-11 US disclosed