SCHEMBL7135100

SCHEMBL7135100

CCC(c1ccccc1)C(CC(=O)NC(Cc1ccccc1)C(=S)NC)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.48
ACE P12821 6/20 0.44
ECE1 P42892 1/20 0.43
MMP1 P03956 1/20 0.41
FCER2 P06734 1/20 0.41
POLB P06746 2/20 0.40
LMNA P02545 2/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
PSMB5 P28074 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 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
SCHEMBL7983227 0.86 MMP1 (0.54) MMEMMP1FCER2MMP2MMP9
SCHEMBL7068105 0.86 EPHX2 (0.47) MMELMNA
SCHEMBL7066970 0.81 LTA4H (0.41) MMEACEMMP1POLBLMNA
SCHEMBL7135106 0.78 ACE (0.49) MMEACEECE1MMP1FCER2
SCHEMBL7983204 0.76 MMP1 (0.58) MMEACEMMP1FCER2PSMB5
SCHEMBL7983199 0.76 MMP1 (0.58) MMEACEMMP1FCER2PSMB5
SCHEMBL7128547 0.74 MME (0.51) MMEACE
SCHEMBL7128546 0.74 MME (0.51) MMEACE
SCHEMBL7982631 0.72 EPHX2 (0.48) MMEACEALDH1A1
SCHEMBL10662363 0.70 ACE (0.63) MMEACEECE1POLBLMNA

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