SCHEMBL30299102

SCHEMBL30299102

NCCCC[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 6/20 0.65
MMP2 P08253 5/20 0.65
MMP8 P22894 2/20 0.53
MMP13 P45452 2/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
MMP1 P03956 1/20 0.53
NRP1 O14786 1/20 0.49
F2 P00734 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
THRB P10828 1/20 0.47
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
HDAC1 Q13547 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL2807923 0.89 MMP9 (0.52) MMP9MMP2MMP8MMP13CA1
SCHEMBL2807924 0.89 MMP9 (0.52) MMP9MMP2MMP8MMP13CA1
SCHEMBL2808390 0.86 MMP2 (0.49) MMP9MMP2MMP8MMP13CA1
SCHEMBL6789493 0.86 MMP2 (0.49) MMP9MMP2MMP8MMP13CA1
SCHEMBL2808395 0.86 MMP2 (0.49) MMP9MMP2MMP8MMP13CA1
SCHEMBL2805413 0.85 MMP9 (0.48) MMP9MMP2MMP8MMP13CA1
SCHEMBL2805419 0.85 MMP9 (0.48) MMP9MMP2MMP8MMP13CA1
SCHEMBL6926952 0.85 MMP9 (0.56) MMP9MMP2MMP8MMP13CA1
SCHEMBL7450886 0.85 MMP9 (0.61) MMP9MMP2MMP8MMP13CA1
SCHEMBL6926956 0.85 MMP9 (0.56) MMP9MMP2MMP8MMP13CA1

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
EP-4423107-A1 LIPID AMINES ModernaTX, Inc. (US) 2024-09-04 EP disclosed
WO-2024011333-A1 METHOD OF TREATING SKELETAL MUSCLE STEM CELL PATHOLOGIC DYSFUNCTION SOCPRA SCIENCES SANTÉ ET HUMAINES S.E.C. (CA) 2024-01-18 WO disclosed
WO-2023076598-A1 LIPID AMINES MODERNATX, INC. (US) 2023-05-04 WO disclosed