SCHEMBL8027294

SCHEMBL8027294

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

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 11/20 0.83
ACE P12821 11/20 0.83
TACR1 P25103 1/20 0.47
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
MMP9 P14780 2/20 0.41
MMP8 P22894 1/20 0.41
MMP14 P50281 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
FNTA P49354 1/20 0.40
PGGT1B P53609 1/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39

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
SCHEMBL8451438 1.00 MME (0.83) MMEACETACR1CPA1ACE2
SCHEMBL8017444 0.94 MME (0.83) MMEACETACR1CPA1ACE2
SCHEMBL27547831 0.94 MME (0.83) MMEACETACR1CPA1ACE2
SCHEMBL8017267 0.91 MME (1.00) MMEACECPA1ACE2MMP9
SCHEMBL27464096 0.91 MME (0.68) MMEACETACR1CPA1ACE2
SCHEMBL8027482 0.89 MME (0.80) MMEACETACR1CPA1ACE2
SCHEMBL27489673 0.88 MME (0.67) MMEACETACR1CPA1ACE2
SCHEMBL8027498 0.87 MME (0.75) MMEACETACR1CPA1ACE2
SCHEMBL8451466 0.87 MME (0.88) MMEACECPA1ACE2MMP9
SCHEMBL8027410 0.87 MME (0.88) MMEACECPA1ACE2MMP9

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
CN-1138321-A 1, 3-dialkyl urea derivative with hydrocarbon group SANTAN PHARMACEUTICAL CO LTD (JP) 1996-12-18 CN disclosed