SCHEMBL7067649

SCHEMBL7067649

O=C(O)CCC(=O)N[C@@H](Cc1ccccc1)C(=S)NCCCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSG P08311 1/20 0.56
CMA1 P23946 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
MMP8 P22894 1/20 0.47
GRIA1 P42261 1/20 0.47
MME P08473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL7067645 1.00 CTSG (0.56) CTSGCMA1L3MBTL1LMNATSHR
SCHEMBL7982632 0.81 MMP1 (0.49) CTSGCMA1L3MBTL1GAAHPGD
SCHEMBL27522992 0.81 MMP1 (0.49) CTSGCMA1L3MBTL1GAAHPGD
SCHEMBL7128547 0.81 MME (0.51) MME
SCHEMBL14765234 0.81 CHRNB2 (0.64) GRIA1
SCHEMBL7128546 0.81 MME (0.51) MME
SCHEMBL14761409 0.81 CHRNB2 (0.64) GRIA1
SCHEMBL14761840 0.80 CHRNB2 (0.63) GRIA1
SCHEMBL14761090 0.80 CHRNB2 (0.63) GRIA1
SCHEMBL14761872 0.80 CHRNB2 (0.63) GRIA1

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