SCHEMBL8027482

SCHEMBL8027482

CC(C)CN(CC(O)C(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)OC(C)(C)C

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MME P08473 11/20 0.80
ACE P12821 9/20 0.80
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
TACR1 P25103 1/20 0.41
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
MMP9 P14780 2/20 0.40
MMP8 P22894 1/20 0.40
MMP14 P50281 1/20 0.40
HRH4 Q9H3N8 1/20 0.40

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
SCHEMBL8027261 0.94 MME (0.80) MMEACECTSSCTSKCPA1
SCHEMBL27489673 0.92 MME (0.67) MMEACECTSSCTSKCPA1
SCHEMBL8017267 0.89 MME (1.00) MMEACECPA1ACE2MMP9
SCHEMBL8027294 0.89 MME (0.83) MMEACECTSSCTSKCPA1
SCHEMBL8451438 0.89 MME (0.83) MMEACECTSSCTSKCPA1
SCHEMBL8032886 0.86 MME (0.62) MMEACEPSEN1PSEN2APH1B
SCHEMBL8027410 0.85 MME (0.88) MMEACECPA1ACE2MMP9
SCHEMBL8451466 0.85 MME (0.88) MMEACECPA1ACE2MMP9
SCHEMBL8017233 0.85 MME (0.68) MMEACEPSEN1PSEN2APH1B
SCHEMBL8522396 0.85 MME (0.76) MMEACECPA1ACE2TACR1

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-0738711-B1 NOVEL 1,3-DIALKYLUREA DERIVATIVE HAVING HYDROXYL GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2000-03-08 EP disclosed
EP-0738711-A1 NOVEL 1,3-DIALKYLUREA DERIVATIVE HAVING HYDROXYL GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 1996-10-23 EP disclosed