SCHEMBL8028686

SCHEMBL8028686

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

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 14/20 0.69
ACE P12821 14/20 0.69
ACE2 Q9BYF1 2/20 0.46
CPA1 P15085 1/20 0.46
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43

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
SCHEMBL8027132 0.94 MME (0.68) MMEACEHDAC1HDAC6PSEN1
SCHEMBL8027560 0.93 MME (0.80) MMEACEACE2CPA1PSEN1
SCHEMBL8017187 0.93 MME (0.78) MMEACEACE2CPA1PSEN1
SCHEMBL8027344 0.90 MME (0.85) MMEACEACE2CPA1
SCHEMBL27440145 0.90 MME (0.57) MMEACEHDAC1HDAC6PSEN1
SCHEMBL8018081 0.89 MME (0.71) MMEACEACE2CPA1HDAC1
SCHEMBL8030172 0.89 MME (0.70) MMEACEACE2CPA1
SCHEMBL27446261 0.89 MME (0.70) MMEACEACE2CPA1
SCHEMBL8030182 0.88 MME (0.69) MMEACEPSEN1PSEN2APH1B
SCHEMBL8017210 0.87 MME (0.74) MMEACEACE2CPA1

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