SCHEMBL8028762

SCHEMBL8028762

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

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 14/20 0.70
ACE P12821 13/20 0.70
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
TACR1 P25103 1/20 0.41

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
SCHEMBL8447391 1.00 MME (0.70) MMEACEHDAC1HDAC6CPA1
SCHEMBL8018081 0.94 MME (0.71) MMEACEHDAC1HDAC6CPA1
SCHEMBL8027565 0.93 MME (0.81) MMEACECPA1ACE2TACR1
SCHEMBL8447827 0.93 MME (0.81) MMEACECPA1ACE2TACR1
SCHEMBL8026896 0.93 MME (0.80) MMEACECPA1ACE2
SCHEMBL8448663 0.93 MME (0.80) MMEACECPA1ACE2
SCHEMBL8026891 0.93 MME (0.80) MMEACECPA1ACE2
SCHEMBL8027344 0.91 MME (0.85) MMEACECPA1ACE2
SCHEMBL8027132 0.90 MME (0.68) MMEACEHDAC1HDAC6
SCHEMBL27440145 0.89 MME (0.57) MMEACEHDAC1HDAC6

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