SCHEMBL8492995

SCHEMBL8492995

Cc1ccccc1S(=O)(=O)NC(CCCNC(=N)N)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 5/20 0.57
ITGB3 P05106 2/20 0.50
ITGA2 P17301 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ITGA2B P08514 1/20 0.50
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
SLC1A1 P43005 1/20 0.50
MMP2 P08253 8/20 0.45
MMP9 P14780 8/20 0.45
MMP8 P22894 3/20 0.44
MMP12 P39900 3/20 0.44
MMP14 P50281 3/20 0.44
BMP1 P13497 1/20 0.43
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
MMP13 P45452 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2C19 P33261 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
SCHEMBL6877985 1.00 ITGAV (0.57) ITGAVITGB3ITGA2L3MBTL1ITGA2B
SCHEMBL8013936 0.92 ITGAV (0.49) ITGAVITGB3ITGA2L3MBTL1ITGA2B
SCHEMBL27412426 0.89 RECQL (0.47) ITGAVITGB3ITGA2L3MBTL1ITGA2B
SCHEMBL1700935 0.89 RECQL (0.47) ITGAVITGB3ITGA2L3MBTL1ITGA2B
SCHEMBL7420368 0.85 SLC1A3 (0.53) ITGAVITGB3ITGA2BSLC1A3SLC1A2
SCHEMBL8998756 0.85 ITGB3 (0.49) ITGAVITGB3L3MBTL1ITGA2BMMP2
SCHEMBL7420373 0.85 SLC1A3 (0.53) ITGAVITGB3ITGA2BSLC1A3SLC1A2
SCHEMBL3448321 0.84 MMP9 (0.58) ITGB3ITGA2BMMP2MMP9MMP8
SCHEMBL3448325 0.84 MMP9 (0.58) ITGB3ITGA2BMMP2MMP9MMP8
SCHEMBL457771 0.82 MMP9 (0.65) ITGAVITGB3ITGA2L3MBTL1ITGA2B

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
WO-1999050229-A1 FATTY ACID ANALOGS AND PRODRUGS G.D. SEARLE & CO. (US) 1999-10-07 WO disclosed