SCHEMBL8027181

SCHEMBL8027181

CC(C)CN(CC(O)C(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NO

nearest known ligand 0.86

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 11/20 0.86
ACE P12821 9/20 0.86
MMP9 P14780 3/20 0.52
MMP8 P22894 2/20 0.52
MMP14 P50281 1/20 0.52
MMP2 P08253 1/20 0.51
ANPEP P15144 2/20 0.49
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
HRH4 Q9H3N8 1/20 0.44
PSMB5 P28074 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
SCHEMBL8033037 0.94 MME (0.76) MMEACEMMP9MMP8MMP14
SCHEMBL8029453 0.93 MME (0.84) MMEACEMMP9MMP8MMP14
SCHEMBL8017267 0.93 MME (1.00) MMEACEMMP9MMP8MMP14
SCHEMBL8451466 0.89 MME (0.88) MMEACEMMP9MMP8MMP14
SCHEMBL8027410 0.89 MME (0.88) MMEACEMMP9MMP8MMP14
SCHEMBL8451438 0.86 MME (0.83) MMEACEMMP9MMP8MMP14
SCHEMBL8027294 0.86 MME (0.83) MMEACEMMP9MMP8MMP14
SCHEMBL8027102 0.86 MME (0.86) MMEACEMMP9MMP8MMP14
SCHEMBL8017215 0.85 MME (0.66) MMEACEMMP8PSMB5
SCHEMBL8027482 0.85 MME (0.80) MMEACEMMP9MMP8MMP14

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