SCHEMBL9770960

SCHEMBL9770960

CCN(CCP(=O)(O)CCN(CC)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)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 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 11/20 0.34
MMP2 P08253 11/20 0.34
MMP9 P14780 11/20 0.34
MMP8 P22894 11/20 0.34
MMP13 P45452 11/20 0.34
CA2 P00918 10/20 0.34
CA1 P00915 7/20 0.34
F2 P00734 2/20 0.32
PRSS1 P07477 2/20 0.32
PRSS2 P07478 2/20 0.32
PRSS3 P35030 2/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 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
SCHEMBL27617126 0.91 MMP1 (0.34) MMP1MMP2MMP9MMP8MMP13
SCHEMBL11344791 0.87 S1PR2 (0.36) MMP1MMP2MMP9MMP8MMP13
SCHEMBL11341865 0.87 S1PR2 (0.36) MMP1MMP2MMP9MMP8MMP13
SCHEMBL11339894 0.87 S1PR2 (0.36) MMP1MMP2MMP9MMP8MMP13
SCHEMBL11337725 0.85 S1PR2 (0.37) MMP1MMP2MMP9MMP8MMP13
SCHEMBL11347477 0.85 S1PR2 (0.38) MMP1MMP2MMP9MMP8MMP13
SCHEMBL1262100 0.82 MMP1 (0.33) MMP1MMP2MMP9MMP8MMP13
SCHEMBL10358857 0.82 MMP1 (0.33) MMP1MMP2MMP9MMP8MMP13
SCHEMBL8859634 0.81 CA2 (0.38) MMP1MMP2MMP9MMP8MMP13
SCHEMBL8859579 0.81 CA2 (0.38) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5059983-A Containing acetylene oxide or glycol CANON KABUSHIKI KAISHA (JP) 1991-10-22 US disclosed