SCHEMBL7567643

SCHEMBL7567643

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.52
ACE P12821 2/20 0.52
MMP9 P14780 5/20 0.48
MMP3 P08254 4/20 0.48
MMP1 P03956 3/20 0.48
PSEN1 P49768 6/20 0.45
PSEN2 P49810 6/20 0.45
APH1B Q8WW43 6/20 0.45
NCSTN Q92542 6/20 0.45
APH1A Q96BI3 6/20 0.45
PSENEN Q9NZ42 6/20 0.45
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
MMP8 P22894 3/20 0.43
MMP2 P08253 3/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL8447140 0.93 MMP3 (0.52) MMEACEMMP9MMP3MMP1
SCHEMBL7570111 0.92 MME (0.62) MMEACEMMP9MMP3MMP1
SCHEMBL8453223 0.90 MME (0.52) MMEACEMMP9MMP3MMP1
SCHEMBL8451289 0.90 MME (0.52) MMEACEMMP9MMP3MMP1
SCHEMBL7575478 0.89 MME (0.59) MMEACEMMP9MMP3MMP1
SCHEMBL7568216 0.89 MME (0.62) MMEACEMMP9MMP3MMP1
SCHEMBL7575021 0.88 MME (0.60) MMEACEMMP9MMP3MMP8
SCHEMBL8452341 0.88 MME (0.52) MMEACEMMP9MMP3MMP1
SCHEMBL8446417 0.88 MME (0.52) MMEACEMMP9MMP3MMP1
SCHEMBL7572812 0.88 MME (0.61) MMEACEMMP9MMP3MMP1

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