SCHEMBL8993739

SCHEMBL8993739

O=C(O)CC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 13/20 0.71
MMP8 P22894 5/20 0.71
MMP13 P45452 1/20 0.71
ADAMTS4 O75173 1/20 0.71
ALDH1A1 P00352 1/20 0.59
MMP2 P08253 12/20 0.57
SLC1A3 P43003 1/20 0.57
SLC1A2 P43004 1/20 0.57
SLC1A1 P43005 1/20 0.57
ITGB3 P05106 1/20 0.56
ITGA2B P08514 1/20 0.56
MMP12 P39900 4/20 0.54
MMP14 P50281 4/20 0.54
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL8622042 1.00 MMP9 (0.71) MMP9MMP8MMP13ADAMTS4ALDH1A1
SCHEMBL9257772 0.90 MMP9 (0.73) MMP9MMP8MMP13ADAMTS4ALDH1A1
SCHEMBL8388668 0.86 SLC1A3 (0.60) MMP9MMP8MMP13ADAMTS4ALDH1A1
SCHEMBL8388664 0.86 SLC1A3 (0.60) MMP9MMP8MMP13ADAMTS4ALDH1A1
SCHEMBL7300504 0.86 MMP7 (0.64) MMP9MMP8MMP13ADAMTS4MMP2
SCHEMBL6434896 0.85 SLC1A3 (0.61) MMP9MMP8MMP13ADAMTS4ALDH1A1
SCHEMBL7340546 0.85 SLC1A3 (0.61) MMP9MMP8MMP13ADAMTS4ALDH1A1
SCHEMBL23039634 0.85 HDAC1 (0.56) MMP9MMP8MMP13ADAMTS4ALDH1A1
SCHEMBL698930 0.84 MMP9 (0.86) MMP9MMP8MMP13ADAMTS4MMP2
SCHEMBL716323 0.84 MMP9 (0.86) MMP9MMP8MMP13ADAMTS4MMP2

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-5489583-A FOR TREATING OR PREVENTING THROMBOSIS BASF AKTIENGESELLSCHAFT (DE) 1996-02-06 US disclosed