SCHEMBL7575478

SCHEMBL7575478

CC(C)CN(CC(CCc1ccccc1)C(=O)NO)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NO

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.59
ACE P12821 6/20 0.59
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
MMP9 P14780 4/20 0.48
MMP8 P22894 4/20 0.48
MMP2 P08253 3/20 0.48
MMP12 P39900 2/20 0.48
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
MMP3 P08254 1/20 0.46
MMP1 P03956 1/20 0.45
FCER2 P06734 1/20 0.45

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
SCHEMBL7567465 0.95 MME (0.66) MMEACEMMP9MMP2MMP12
SCHEMBL7575021 0.95 MME (0.60) MMEACEHDAC3HDAC4HDAC1
SCHEMBL7567456 0.95 MME (0.66) MMEACEMMP9MMP2MMP12
SCHEMBL8447140 0.89 MMP3 (0.52) MMEACEMMP9MMP12CPA1
SCHEMBL7567643 0.89 MME (0.52) MMEACEHDAC3HDAC4HDAC1
SCHEMBL7570067 0.88 MME (0.70) MMEACEMMP9MMP2MMP12
SCHEMBL7570068 0.88 MME (0.70) MMEACEMMP9MMP2MMP12
SCHEMBL7566363 0.87 MME (0.71) MMEACEMMP9MMP2MMP12
SCHEMBL7566359 0.87 MME (0.71) MMEACEMMP9MMP2MMP12
SCHEMBL7572401 0.87 MME (0.71) MMEACECPA1ACE2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0798291-B1 NOVEL 1,3-DIALKYLUREA DERIVATIVES SANTEN PHARMACEUTICAL CO LTD (JP) 2002-09-11 EP disclosed
US-5968980-A ENDOPEPTIDASE 24.11 INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed
EP-0798291-A1 NOVEL 1,3-DIALKYLUREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1997-10-01 EP disclosed