SCHEMBL7133113

SCHEMBL7133113

Nc1ccc(C(=O)c2ccc(S(=O)(=O)CC(CC(=O)O)c3ccccc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GABBR2 O75899 1/20 0.47
GABBR1 Q9UBS5 1/20 0.47
MMP2 P08253 5/20 0.44
MMP1 P03956 4/20 0.44
MMP3 P08254 4/20 0.44
MMP9 P14780 4/20 0.44
MMP8 P22894 4/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD11B1 P28845 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL7080823 0.90 GABBR2 (0.49) MEN1KMT2AGABBR2GABBR1MMP2
SCHEMBL8909238 0.83 GABBR2 (0.56) MEN1KMT2AGABBR2GABBR1MMP2
SCHEMBL7073753 0.81 GABBR2 (0.50) MEN1KMT2AGABBR2GABBR1MMP2
SCHEMBL7077860 0.80 GABBR2 (0.49) GABBR2GABBR1MMP2MMP1MMP3
SCHEMBL7077840 0.80 GABBR2 (0.49) GABBR2GABBR1MMP2MMP1MMP3
SCHEMBL7079926 0.77 MAOA (0.48) GABBR2GABBR1MMP2MMP1MMP3
SCHEMBL7077837 0.77 ALDH1A1 (0.45) MEN1KMT2AMMP2MMP3CA12
SCHEMBL7075400 0.75 F2 (0.45) MMP2MMP9MMP8CA12CA1
SCHEMBL7078814 0.75 MMP13 (0.48) MMP2MMP1MMP3MMP9MMP8
SCHEMBL5278801 0.75 BDKRB1 (0.47) MEN1KMT2AGABBR2GABBR1LMNA

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-2003059872-A1 AVB3 AND AVB5 INTEGRIN ANTAGONISTS AND METHODS OF TREATING DISEASES OR CONDITIONS ASSOCIATED WITH AVB3 AND AVB5 INTEGRINS BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-24 WO disclosed