SCHEMBL874167

SCHEMBL874167

Cc1ccc(Oc2ccc(N(C(CCN3C(=O)c4ccc(C)cc4C3=O)C(=O)O)S(C)(=O)=O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.49
LPAR3 Q9UBY5 1/20 0.49
MMP2 P08253 11/20 0.41
MMP9 P14780 11/20 0.41
TDP1 Q9NUW8 1/20 0.40
HTT P42858 2/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MMP3 P08254 1/20 0.40
MMP13 P45452 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA9 Q16790 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL877694 0.93 MMP2 (0.47) LPAR1LPAR3MMP2MMP9ALDH1A1
SCHEMBL876986 0.88 CA1 (0.44) MMP2MMP9MMP3MMP13CA1
SCHEMBL874425 0.86 MMP2 (0.48) MMP2MMP9HTTMMP3MMP13
SCHEMBL876385 0.81 MMP2 (0.59) MMP2MMP9TDP1LMNASMN1; SMN2
SCHEMBL6727028 0.81 DUT (0.49) LPAR1LPAR3MMP2MMP9HTT
SCHEMBL877131 0.79 MMP2 (0.64) MMP2MMP9TDP1ALDH1A1MMP3
SCHEMBL876861 0.78 MMP2 (0.55) MMP2MMP9MMP3MMP13
SCHEMBL877277 0.77 MMP2 (0.49) MMP2MMP9MMP3MMP13
SCHEMBL877006 0.76 MMP2 (0.51) MMP2MMP9ALDH1A1MMP3MMP13
SCHEMBL877592 0.75 MMP2 (0.41) MMP2MMP9HTTALDH1A1MMP3

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-2619179-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
WO-2012038944-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO disclosed