SCHEMBL8017267

SCHEMBL8017267

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 13/20 1.00
ACE P12821 13/20 1.00
CPA1 P15085 1/20 0.53
ACE2 Q9BYF1 1/20 0.53
HRH4 Q9H3N8 1/20 0.48
MMP9 P14780 3/20 0.47
MMP8 P22894 2/20 0.46
MMP14 P50281 1/20 0.46
MMP2 P08253 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
SCHEMBL8451466 0.94 MME (0.88) MMEACECPA1ACE2HRH4
SCHEMBL8027410 0.94 MME (0.88) MMEACECPA1ACE2HRH4
SCHEMBL8027181 0.93 MME (0.86) MMEACECPA1ACE2HRH4
SCHEMBL8027102 0.93 MME (0.86) MMEACECPA1ACE2HRH4
SCHEMBL8029453 0.92 MME (0.84) MMEACECPA1ACE2HRH4
SCHEMBL8451438 0.91 MME (0.83) MMEACECPA1ACE2HRH4
SCHEMBL8027294 0.91 MME (0.83) MMEACECPA1ACE2HRH4
SCHEMBL8017444 0.91 MME (0.83) MMEACECPA1ACE2HRH4
SCHEMBL27547831 0.91 MME (0.83) MMEACECPA1ACE2HRH4
SCHEMBL8027482 0.89 MME (0.80) MMEACECPA1ACE2HRH4

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