SCHEMBL8032929

SCHEMBL8032929

CCOC(=O)C(O)CN(CC(C)C)C(=O)N[C@@H](Cc1ccc(C)cc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 13/20 0.69
ACE P12821 11/20 0.69
ALDH1A1 P00352 1/20 0.42
FOLH1 Q04609 1/20 0.41
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40

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
SCHEMBL8032932 1.00 MME (0.69) MMEACEALDH1A1FOLH1CPA1
SCHEMBL8032844 0.92 MME (0.81) MMEACEFOLH1CPA1ACE2
SCHEMBL8032839 0.92 MME (0.81) MMEACEFOLH1CPA1ACE2
SCHEMBL8017273 0.92 MME (0.72) MMEACECPA1ACE2
SCHEMBL8017270 0.92 MME (0.72) MMEACECPA1ACE2
SCHEMBL8027331 0.91 MME (0.82) MMEACECPA1ACE2
SCHEMBL8027335 0.91 MME (0.82) MMEACECPA1ACE2
SCHEMBL8027556 0.91 MME (0.82) MMEACEALDH1A1FOLH1
SCHEMBL8027553 0.91 MME (0.82) MMEACEALDH1A1FOLH1
SCHEMBL8027491 0.90 MME (0.65) 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