SCHEMBL7568216

SCHEMBL7568216

CC(C)CN(CC(CCCc1ccccc1)C(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 13/20 0.62
ACE P12821 12/20 0.62
MMP1 P03956 2/20 0.48
MMP3 P08254 2/20 0.48
MMP9 P14780 1/20 0.48
ACE2 Q9BYF1 4/20 0.45
CPA1 P15085 3/20 0.45
PSEN1 P49768 2/20 0.44
PSEN2 P49810 2/20 0.44
APH1B Q8WW43 2/20 0.44
NCSTN Q92542 2/20 0.44
APH1A Q96BI3 2/20 0.44
PSENEN Q9NZ42 2/20 0.44
LPAR1 Q92633 1/20 0.44

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
SCHEMBL7572812 0.97 MME (0.61) MMEACEMMP1MMP3MMP9
SCHEMBL7570111 0.96 MME (0.62) MMEACEMMP1MMP3MMP9
SCHEMBL7574113 0.94 MME (0.65) MMEACEACE2CPA1PSEN1
SCHEMBL7566971 0.93 MME (0.66) MMEACEACE2CPA1PSEN1
SCHEMBL8449459 0.92 MME (0.52) MMEACEMMP1MMP3MMP9
SCHEMBL8446468 0.90 MME (0.51) MMEACEMMP1MMP3MMP9
SCHEMBL7565980 0.90 MME (0.70) MMEACEMMP1MMP3ACE2
SCHEMBL7565973 0.90 MME (0.70) MMEACEMMP1MMP3ACE2
SCHEMBL8451289 0.89 MME (0.52) MMEACEMMP1MMP3MMP9
SCHEMBL7567643 0.89 MME (0.52) MMEACEMMP1MMP3MMP9

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 2 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
EP-0798291-A1 NOVEL 1,3-DIALKYLUREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1997-10-01 EP disclosed