SCHEMBL8867641

SCHEMBL8867641

COC(=O)[C@H](CC(OC)OC)NC(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.60
ALDH1A1 P00352 1/20 0.58
ALOX15 P16050 1/20 0.58
CTSK P43235 9/20 0.57
CTSS P25774 3/20 0.54
CTSL P07711 2/20 0.54
CTSB P07858 2/20 0.54
TRPM8 Q7Z2W7 1/20 0.52
CAPN1 P07384 1/20 0.52
TACR1 P25103 2/20 0.51

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
SCHEMBL3187144 0.94 CTSK (0.57) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL3177275 0.92 CTSK (0.57) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL14609392 0.87 CTSK (0.74) KYNUCTSKCTSSCTSLCTSB
SCHEMBL12876847 0.87 KYNU (0.62) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL13611959 0.87 CTSK (0.74) KYNUCTSKCTSSCTSLCTSB
SCHEMBL3978105 0.87 CTSK (0.74) KYNUCTSKCTSSCTSLCTSB
SCHEMBL13886795 0.86 CTSS (0.54) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL3331851 0.86 KYNU (0.60) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL3331858 0.86 KYNU (0.60) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL30913958 0.86 KYNU (0.60) KYNUALDH1A1ALOX15CTSKCTSS

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5670684-A CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1997-09-23 US disclosed
US-5576435-A Process and intermediates for the preparation of excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1996-11-19 US disclosed
US-5470978-A Process and intermediates for the preparation of excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1995-11-28 US disclosed
EP-0599518-A1 Process and intermediates for the preparation of excitatory amino acide receptor antagonists ELI LILLY AND COMPANY (US) 1994-06-01 EP disclosed