SCHEMBL8715883

SCHEMBL8715883

NCCCCC(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 6/20 0.73
MMP2 P08253 5/20 0.73
SLC1A3 P43003 1/20 0.57
SLC1A2 P43004 1/20 0.57
SLC1A1 P43005 1/20 0.57
ITGB3 P05106 4/20 0.52
ITGA2B P08514 4/20 0.52
F2 P00734 3/20 0.51
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
ADAMTS4 O75173 1/20 0.50
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.46
KAT6A Q92794 1/20 0.46

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
SCHEMBL8715885 1.00 MMP9 (0.73) MMP9MMP2SLC1A3SLC1A2SLC1A1
SCHEMBL7955730 0.86 SLC1A3 (0.64) MMP9MMP2SLC1A3SLC1A2SLC1A1
SCHEMBL6964707 0.86 SLC1A3 (0.64) MMP9MMP2SLC1A3SLC1A2SLC1A1
SCHEMBL6562692 0.86 MMP9 (0.87) MMP9MMP2ITGB3ITGA2BMMP8
SCHEMBL6562688 0.86 MMP9 (0.87) MMP9MMP2ITGB3ITGA2BMMP8
Hydrochloric Acid SCHEMBL7654060 0.85 SLC1A3 (0.62) MMP9MMP2SLC1A3SLC1A2SLC1A1
SCHEMBL9257772 0.84 MMP9 (0.73) MMP9MMP2SLC1A3SLC1A2SLC1A1
SCHEMBL23039634 0.84 HDAC1 (0.56) MMP9MMP2SLC1A3SLC1A2SLC1A1
SCHEMBL8993739 0.84 MMP9 (0.71) MMP9MMP2SLC1A3SLC1A2SLC1A1
SCHEMBL8622042 0.84 MMP9 (0.71) MMP9MMP2SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0822939-A1 CYCLIC PENTAPEPTIDE LH-RH RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 1998-02-11 EP disclosed
WO-1996034012-A1 CYCLIC PENTAPEPTIDE LH-RH RECEPTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-31 WO disclosed