SCHEMBL10604335

SCHEMBL10604335

CC(C)(C)OC(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.52
CTSS P25774 1/20 0.51
CTSK P43235 1/20 0.51
F2 P00734 1/20 0.50
PRSS1 P07477 1/20 0.50
HDAC8 Q9BY41 2/20 0.47
HDAC1 Q13547 1/20 0.47
KMT2A Q03164 2/20 0.47
PABPC1 P11940 1/20 0.46
ACE2 Q9BYF1 1/20 0.45
CMA1 P23946 1/20 0.44
MAPK1 P28482 1/20 0.44
KLK5 Q9Y337 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
SCHEMBL10604343 1.00 ACE (0.52) ACECTSSCTSKF2PRSS1
SCHEMBL10605848 0.91 ACE (0.62) ACECTSSCTSKF2PRSS1
SCHEMBL10605836 0.91 ACE (0.62) ACECTSSCTSKF2PRSS1
SCHEMBL8891583 0.85 ACE (0.55) ACECTSSCTSKF2PRSS1
SCHEMBL16667799 0.85 KLK5 (0.58) ACECTSSCTSKF2PRSS1
SCHEMBL10604631 0.82 ACE (0.42) ACECTSSCTSKF2PRSS1
SCHEMBL10604644 0.82 ACE (0.42) ACECTSSCTSKF2PRSS1
SCHEMBL15110005 0.81 CTSS (0.58) CTSSCTSKKMT2APABPC1MAPK1
SCHEMBL18257089 0.80 HDAC1 (0.51) ACECTSSCTSKF2PRSS1
SCHEMBL18257086 0.80 HDAC1 (0.51) ACECTSSCTSKF2PRSS1

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-0154353-B1 AN ANTI-AMNESTIC AGENT KABUSHIKI KAISHA YAKULT HONSHA (JP) 1989-11-15 EP disclosed
US-4687778-A Anti-amnestic agent KABUSHIKI KAISHA YAKULT HONSHA (JP) 1987-08-18 US disclosed
EP-0154353-A2 An anti-amnestic agent KABUSHIKI KAISHA YAKULT HONSHA (JP) 1985-09-11 EP disclosed