SCHEMBL7069330

SCHEMBL7069330

NC(=O)CC(C(=O)O)[C@H](CC1CCCCC1)C(=S)NCCCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 9/20 0.51
MMP1 P03956 8/20 0.51
MMP2 P08253 8/20 0.51
EPHX1 P07099 2/20 0.47
KMT2A Q03164 2/20 0.47
EPHX2 P34913 3/20 0.46
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TAAR1 Q96RJ0 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
SCHEMBL7069327 1.00 MMP3 (0.51) MMP3MMP1MMP2EPHX1KMT2A
SCHEMBL5523633 0.78 EPHX1 (0.57) MMP3MMP1MMP2EPHX1KMT2A
SCHEMBL7068205 0.76 MMP3 (0.47) MMP3MMP1MMP2EPHX1KMT2A
SCHEMBL27549172 0.75 MMP2 (0.58) MMP3MMP1MMP2
SCHEMBL7068133 0.74 MMP2 (0.46) MMP3MMP1MMP2EPHX2
SCHEMBL7066782 0.74 MMP2 (0.46) MMP3MMP1MMP2EPHX1KMT2A
SCHEMBL7355387 0.72 METAP2 (0.62) MMP3MMP1MMP2EPHX1KMT2A
Hydrochloric Acid SCHEMBL7354348 0.71 METAP2 (0.61) MMP3MMP1MMP2EPHX1EPHX2
SCHEMBL7068140 0.71 MMP2 (0.51) MMP3MMP1MMP2EPHX2
SCHEMBL7068135 0.71 MMP2 (0.51) MMP3MMP1MMP2EPHX2

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
EP-1060161-B1 MATRIX METALLOPROTEINASE INHIBITORS LEO PHARMA AS WITH SECONDARY N (DK) 2003-06-11 EP disclosed