SCHEMBL8029476

SCHEMBL8029476

CC(C)CN(CC(O)C(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 12/20 0.75
ACE P12821 9/20 0.75
FCER2 P06734 2/20 0.47
MMP1 P03956 2/20 0.47
CTSB P07858 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA9 Q16790 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
SCHEMBL8455368 1.00 MME (0.75) MMEACEFCER2MMP1CTSB
SCHEMBL8029480 1.00 MME (0.75) MMEACEFCER2MMP1CTSB
SCHEMBL8447819 0.94 MME (0.85) MMEACE
SCHEMBL8017716 0.94 MME (0.85) MMEACE
SCHEMBL8017720 0.94 MME (0.85) MMEACE
SCHEMBL8033016 0.94 MME (0.66) MMEACEFCER2MMP1CTSB
SCHEMBL8033010 0.94 MME (0.66) MMEACEFCER2MMP1CTSB
SCHEMBL8027170 0.91 MME (0.88) MMEACE
SCHEMBL8032885 0.91 MME (0.88) MMEACE
SCHEMBL8032876 0.91 MME (0.88) MMEACE

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