SCHEMBL8998756

SCHEMBL8998756

Cc1ccc(S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)O)c(C)c1C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 2/20 0.41
CYP2C19 P33261 1/20 0.41
ITGAV P06756 2/20 0.40
MMP2 P08253 9/20 0.39
MMP9 P14780 9/20 0.39
MMP8 P22894 3/20 0.39
MMP12 P39900 3/20 0.39
MMP14 P50281 3/20 0.39
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP13 P45452 1/20 0.38
BMP1 P13497 1/20 0.37

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
SCHEMBL8492995 0.85 ITGAV (0.57) ITGB3ITGA2BL3MBTL1ALDH1A1CYP2C19
SCHEMBL6877985 0.85 ITGAV (0.57) ITGB3ITGA2BL3MBTL1ALDH1A1CYP2C19
SCHEMBL1509767 0.81 ITGB3 (0.71) ITGB3ITGA2BMMP2MMP9MMP8
SCHEMBL9293208 0.81 ITGB3 (0.71) ITGB3ITGA2BMMP2MMP9MMP8
SCHEMBL1509766 0.81 ITGB3 (0.71) ITGB3ITGA2BMMP2MMP9MMP8
SCHEMBL27232175 0.80 ITGB3 (0.43) ITGB3ITGA2BL3MBTL1ALDH1A1CYP2C19
SCHEMBL6851722 0.80 ITGB3 (0.51) ITGB3ITGA2BL3MBTL1ITGAVBMP1
SCHEMBL6851727 0.80 ITGB3 (0.51) ITGB3ITGA2BL3MBTL1ITGAVBMP1
Hydrochloric Acid SCHEMBL7362847 0.80 ITGB3 (0.70) ITGB3ITGA2BMMP2MMP9MMP8
Hydrochloric Acid SCHEMBL7362845 0.80 ITGB3 (0.70) ITGB3ITGA2BMMP2MMP9MMP8

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-0644181-B1 AMINO ACID DERIVATIVE AND USE THEREOF FUJI PHOTO FILM CO LTD (JP) 1996-09-04 EP disclosed
EP-0644181-A1 AMINO ACID DERIVATIVE AND USE THEREOF FUJI PHOTO FILM CO., LTD. (JP) 1995-03-22 EP disclosed