Sugi Predict

Sugi Predict / Compounds / SCHEMBL8027628

SCHEMBL8027628

SCHEMBL8027628

COc1ccccc1OC(=O)[C@H](Cc1ccc(-c2ccc3ccccc3c2)cc1)NC(=O)N(CC(C)C)CC(O)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 14/20 0.65
▸ ACE P12821 13/20 0.65
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.46
▸ CPA1 P15085 1/20 0.40
▸ ACE2 Q9BYF1 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
SCHEMBL8521900 1.00 MME (0.65) MMEACEHDAC1HDAC6CPA1
SCHEMBL27543304 0.96 MME (0.58) MMEACEHDAC1HDAC6
SCHEMBL8016959 0.94 MME (0.66) MMEACEHDAC1HDAC6CPA1
SCHEMBL8522143 0.93 MME (0.75) MMEACECPA1ACE2
SCHEMBL8027418 0.93 MME (0.75) MMEACECPA1ACE2
SCHEMBL8452763 0.93 MME (0.73) MMEACEHDAC1HDAC6CPA1
SCHEMBL8027670 0.93 MME (0.73) MMEACEHDAC1HDAC6CPA1
SCHEMBL8027674 0.93 MME (0.73) MMEACEHDAC1HDAC6CPA1
SCHEMBL27462737 0.93 MME (0.55) MMEACEHDAC1HDAC6
SCHEMBL27446264 0.91 MME (0.55) 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 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