SCHEMBL10604644

SCHEMBL10604644

CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.42
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
ITGB3 P05106 9/20 0.40
ITGA2B P08514 9/20 0.40
CTSK P43235 4/20 0.39
CTSS P25774 2/20 0.39
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37

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
SCHEMBL10604631 1.00 ACE (0.42) ACEF2PRSS1HDAC8ITGB3
SCHEMBL12335495 0.87 CACNA1B (0.41) ACEF2PRSS1ITGB3ITGA2B
SCHEMBL26217524 0.86 ITGB3 (0.42) ACEF2PRSS1ITGB3ITGA2B
SCHEMBL10604749 0.86 KMT2A (0.43) ACEHDAC8ITGB3ITGA2BCTSK
SCHEMBL10604758 0.86 KMT2A (0.43) ACEHDAC8ITGB3ITGA2BCTSK
SCHEMBL10605519 0.86 KMT2A (0.43) ACEHDAC8ITGB3ITGA2BCTSK
SCHEMBL25906663 0.84 ELANE (0.41) ACECTSKCTSLCTSB
SCHEMBL8253773 0.84 ELANE (0.41) ACECTSKCTSLCTSB
SCHEMBL22070276 0.83 ACE (0.57) ACEF2PRSS1
SCHEMBL22070275 0.83 ACE (0.57) ACEF2PRSS1

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