SCHEMBL8684458

SCHEMBL8684458

CC(C)(C)OC(=O)N[C@H](CC(Cc1ccccc1)C(=O)O)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 2/20 0.66
FOLH1 Q04609 1/20 0.66
ACE P12821 1/20 0.63
CTSS P25774 3/20 0.59
CTSK P43235 2/20 0.59
CTSL P07711 1/20 0.59
CTSB P07858 1/20 0.59
PPARA Q07869 5/20 0.58
PPARG P37231 4/20 0.58
ATM Q13315 1/20 0.55
APP P05067 1/20 0.54
PPARD Q03181 2/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL20836770 1.00 NAALAD2 (0.66) NAALAD2FOLH1ACECTSSCTSK
SCHEMBL1323164 1.00 NAALAD2 (0.66) NAALAD2FOLH1ACECTSSCTSK
SCHEMBL9439238 1.00 NAALAD2 (0.66) NAALAD2FOLH1ACECTSSCTSK
SCHEMBL3770150 0.91 ACE (0.60) NAALAD2FOLH1ACECTSSCTSK
SCHEMBL13570804 0.90 PTPN1 (0.62) NAALAD2FOLH1ACEPPARAPPARG
SCHEMBL13571647 0.90 PTPN1 (0.62) NAALAD2FOLH1ACEPPARAPPARG
SCHEMBL13571645 0.90 PTPN1 (0.62) NAALAD2FOLH1ACEPPARAPPARG
SCHEMBL13571430 0.90 CTSS (0.61) NAALAD2FOLH1ACECTSSCTSK
SCHEMBL13570662 0.90 CTSS (0.61) NAALAD2FOLH1ACECTSSCTSK
SCHEMBL13570660 0.90 CTSS (0.61) NAALAD2FOLH1ACECTSSCTSK

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5847125-A Amino acid derivatives with anticholecystokinin activity JAMES BLACK FOUNDATION LIMITED (GB) 1998-12-08 US disclosed
EP-0625141-B1 AMINO ACID DERIVATIVES WITH ANTICHOLECYSTOKININ ACTIVITY BLACK JAMES FOUNDATION (GB) 1997-04-16 EP disclosed
CN-1081681-A Amino sugar derivative DAIICHI SEIYAKU CO (JP) 1994-02-09 CN disclosed
US-5225400-A Immunostimulating peptides, a process for their preparation and pharmaceutical compositions containing them ELLEM INDUSTRIA FARMACEUTICA S.R.L. (IT) 1993-07-06 US disclosed
US-4139504-A ANALGESICS, TRANQUILIZERS, SEDATIVES VETERANS ADMINISTRATION, THE UNITED STATES OF AMERICA AS REPRESENTED BY 1979-02-13 US disclosed
US-4127537-A ANALGESIC VETERANS ADMINISTRATION, THE UNITED STATES OF AMERICA AS REPRESENTED BY 1978-11-28 US disclosed
US-4127539-A ANALGESIC VETERANS ADMINISTRATION, THE UNITED STATES OF AMERICA AS REPRESENTED BY 1978-11-28 US disclosed
US-4127533-A ANALGESIC VETERANS ADMINISTRATION, THE UNITED STATES OF AMERICA AS REPRESENTED BY 1978-11-28 US disclosed
US-4127529-A ANALGESIC VETERANS ADMINISTRATION, THE UNITED STATES OF AMERICA AS REPRESENTED BY 1978-11-28 US disclosed
US-4127531-A ANALGESIC VETERANS ADMINISTRATION, THE UNITED STATES OF AMERICA AS REPRESENTED BY 1978-11-28 US disclosed
US-4127530-A ANALGESIC VETERANS ADMINISTRATION, THE UNITED STATES OF AMERICA AS REPRESENTED BY 1978-11-28 US disclosed
US-4127525-A ANALGESIC VETERANS ADMINISTRATION, THE UNITED STATES OF AMERICA AS REPRESENTED BY 1978-11-28 US disclosed
US-4127523-A ANALGESIC VETERANS ADMINISTRATION, THE UNITED STATES OF AMERICA AS REPRESENTED BY 1978-11-28 US disclosed
US-4127534-A ANALGESIC VETERANS ADMINISTRATION, THE UNITED STATES OF AMERICA AS REPRESENTED BY 1978-11-28 US disclosed
US-4127535-A ANALGESIC VETERANS ADMINISTRATION, THE UNITED STATES OF AMERICA AS REPRESENTED BY 1978-11-28 US disclosed
US-4127522-A ANALGESIC VETERANS ADMINISTRATION, THE UNITED STATES OF AMERICA AS REPRESENTED BY 1978-11-28 US disclosed
US-4127517-A ANALGESIC VETERANS ADMINISTRATION, THE UNITED STATES OF AMERICA AS REPRESENTED BY 1978-11-28 US disclosed
US-4127521-A ANALGESIC VETERANS ADMINISTRATION, THE UNITED STATES OF AMERICA AS REPRESENTED BY 1978-11-28 US disclosed
US-4127520-A ANALGESIC VETERANS ADMINISTRATION, THE UNITED STATES OF AMERICA AS REPRESENTED BY 1978-11-28 US disclosed
US-4127518-A ANALGESIC VETERANS ADMINISTRATION, THE UNITED STATES OF AMERICA AS REPRESENTED BY 1978-11-28 US disclosed