SCHEMBL8448671

SCHEMBL8448671

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.53
ACE P12821 4/20 0.53
PSEN1 P49768 4/20 0.43
PSEN2 P49810 4/20 0.43
APH1B Q8WW43 4/20 0.43
NCSTN Q92542 4/20 0.43
APH1A Q96BI3 4/20 0.43
PSENEN Q9NZ42 4/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
SCN9A Q15858 1/20 0.42
CTSB P07858 1/20 0.41
HDAC1 Q13547 4/20 0.40
HDAC6 Q9UBN7 4/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL8446415 0.93 MME (0.53) MMEACEPSEN1PSEN2APH1B
SCHEMBL8449573 0.92 MME (0.52) MMEACEPSEN1PSEN2APH1B
SCHEMBL7575157 0.90 MME (0.66) MMEACECTSSCTSKCTSB
SCHEMBL7566539 0.88 MME (0.54) MMEACEPSEN1PSEN2APH1B
SCHEMBL8446424 0.86 MME (0.54) MMEACECTSBHDAC1HDAC6
SCHEMBL27464921 0.86 MME (0.65) MMEACEPSEN1PSEN2APH1B
SCHEMBL7565484 0.85 MME (0.67) MMEACECTSB
SCHEMBL8449859 0.84 MME (0.55) MMEACEPSEN1PSEN2APH1B
SCHEMBL8447424 0.84 MME (0.54) MMEACEPSEN1PSEN2APH1B
SCHEMBL8450793 0.83 MME (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5968980-A ENDOPEPTIDASE 24.11 INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed