SCHEMBL8027115

SCHEMBL8027115

CC(C)CN(CC(O)C(=O)O)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 12/20 0.77
ACE P12821 9/20 0.77
PSEN1 P49768 4/20 0.47
PSEN2 P49810 4/20 0.47
APH1B Q8WW43 4/20 0.47
NCSTN Q92542 4/20 0.47
APH1A Q96BI3 4/20 0.47
PSENEN Q9NZ42 4/20 0.47
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
ACE2 Q9BYF1 1/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL8017233 0.95 MME (0.68) MMEACEPSEN1PSEN2APH1B
SCHEMBL8017187 0.93 MME (0.78) MMEACEPSEN1PSEN2APH1B
SCHEMBL8027132 0.93 MME (0.68) MMEACEPSEN1PSEN2APH1B
SCHEMBL27464921 0.92 MME (0.65) MMEACEPSEN1PSEN2APH1B
SCHEMBL8032886 0.90 MME (0.62) MMEACEPSEN1PSEN2APH1B
SCHEMBL8027155 0.89 MME (0.79) MMEACEPSEN1PSEN2APH1B
SCHEMBL8026891 0.88 MME (0.80) MMEACEACE2
SCHEMBL8026896 0.88 MME (0.80) MMEACEACE2
SCHEMBL8448663 0.88 MME (0.80) MMEACEACE2
SCHEMBL8030182 0.88 MME (0.69) MMEACEPSEN1PSEN2APH1B

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