SCHEMBL8618283

SCHEMBL8618283

Cc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)S(=O)(=O)N[C@@H](CC(N)=O)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
SLC1A1 P43005 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MMP2 P08253 7/20 0.49
MMP13 P45452 5/20 0.49
MMP3 P08254 2/20 0.49
MMP9 P14780 6/20 0.46
MMP1 P03956 2/20 0.46
MMP7 P09237 1/20 0.46
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA2 P00918 3/20 0.44
CA1 P00915 2/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MMP8 P22894 1/20 0.42
PLAU P00749 1/20 0.42

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
SCHEMBL5189409 0.90 TDP1 (0.60) SLC1A3SLC1A2SLC1A1TDP1MMP2
SCHEMBL10967894 0.90 TDP1 (0.60) SLC1A3SLC1A2SLC1A1TDP1MMP2
SCHEMBL4041026 0.90 TDP1 (0.60) SLC1A3SLC1A2SLC1A1TDP1MMP2
SCHEMBL4339865 0.78 TDP1 (0.63) SLC1A3SLC1A2SLC1A1TDP1MMP2
SCHEMBL698842 0.78 TDP1 (0.63) SLC1A3SLC1A2SLC1A1TDP1MMP2
SCHEMBL698843 0.78 TDP1 (0.63) SLC1A3SLC1A2SLC1A1TDP1MMP2
SCHEMBL8618287 0.78 TDP1 (0.48) SLC1A3SLC1A2SLC1A1TDP1MMP2
SCHEMBL5191062 0.77 MMP2 (0.63) SLC1A3SLC1A2SLC1A1MMP2MMP13
SCHEMBL8685172 0.77 MMP2 (0.63) SLC1A3SLC1A2SLC1A1MMP2MMP13
SCHEMBL3458998 0.76 MMP9 (0.76) SLC1A3SLC1A2SLC1A1TDP1MMP2

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-5852045-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-22 US disclosed