Sugi Predict

Sugi Predict / Compounds / SCHEMBL8017270

SCHEMBL8017270

SCHEMBL8017270

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

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 14/20 0.72
▸ ACE P12821 10/20 0.72
▸ LPAR1 Q92633 1/20 0.47
▸ CPA1 P15085 1/20 0.46
▸ ACE2 Q9BYF1 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CTSB P07858 1/20 0.45

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
SCHEMBL8017273 1.00 MME (0.72) MMEACELPAR1CPA1ACE2
SCHEMBL8027335 0.95 MME (0.82) MMEACECPA1ACE2
SCHEMBL8027331 0.95 MME (0.82) MMEACECPA1ACE2
SCHEMBL8451813 0.92 MME (0.71) MMEACECTSB
SCHEMBL8030327 0.92 MME (0.71) MMEACECTSB
SCHEMBL8030323 0.92 MME (0.71) MMEACECTSB
SCHEMBL8032932 0.92 MME (0.69) MMEACECPA1ACE2
SCHEMBL8032929 0.92 MME (0.69) MMEACECPA1ACE2
SCHEMBL8032844 0.91 MME (0.81) MMEACECPA1ACE2
SCHEMBL8032839 0.91 MME (0.81) MMEACECPA1ACE2

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