SCHEMBL8016973

SCHEMBL8016973

CC(C)N(CC(O)C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(-c2ccc3ccccc3c2)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.53
ACE P12821 8/20 0.53
CPA1 P15085 2/20 0.48
ACE2 Q9BYF1 2/20 0.48
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
ITGB3 P05106 1/20 0.45
ITGAV P06756 1/20 0.45
GPR34 Q9UPC5 5/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 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
SCHEMBL8030684 0.93 MME (0.62) MMEACECPA1ACE2CTSL
SCHEMBL8017182 0.92 MME (0.59) MMEACECPA1ACE2ITGB3
SCHEMBL8017176 0.92 MME (0.59) MMEACECPA1ACE2ITGB3
SCHEMBL8016955 0.91 MME (0.64) MMEACECPA1ACE2
SCHEMBL8028778 0.89 MME (0.52) MMEACECPA1ACE2HDAC1
SCHEMBL8030172 0.88 MME (0.70) MMEACECPA1ACE2GPR34
SCHEMBL27446261 0.88 MME (0.70) MMEACECPA1ACE2GPR34
SCHEMBL27462736 0.88 TACR1 (0.55) MMEACECPA1ACE2CTSL
SCHEMBL27464097 0.88 ACE (0.52) MMEACECPA1ACE2HDAC1
SCHEMBL8027149 0.86 ACE (0.58) MMEACECPA1ACE2GPR34

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