SCHEMBL9564935

SCHEMBL9564935

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.43
KLK5 Q9Y337 2/20 0.41
ATM Q13315 1/20 0.41
APP P05067 3/20 0.40
CTSS P25774 3/20 0.40
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
CTSK P43235 1/20 0.40
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
HCRTR1 O43613 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
HTR2C P28335 1/20 0.37
SLC6A4 P31645 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
SCHEMBL6836756 0.87 ACE (0.42) ACEKLK5ATMAPPCTSS
SCHEMBL11400555 0.82 CTSS (0.36) ACEKLK5CTSSCTSLCTSB
SCHEMBL9564886 0.82 REN (0.42) ACECTSSCTSLCTSBCTSK
SCHEMBL744269 0.80 ATM (0.57) ACEKLK5ATMAPPCTSS
SCHEMBL7346811 0.80 ATM (0.57) ACEKLK5ATMAPPCTSS
SCHEMBL9439279 0.80 ATM (0.57) ACEKLK5ATMAPPCTSS
SCHEMBL7316279 0.80 ATM (0.57) ACEKLK5ATMAPPCTSS
SCHEMBL7407045 0.80 ATM (0.57) ACEKLK5ATMAPPCTSS
SCHEMBL2583010 0.79 TACR1 (0.51) ACEKLK5ITGA4ITGB7HCRTR1
SCHEMBL2583014 0.79 TACR1 (0.51) ACEKLK5ITGA4ITGB7HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0565148-A2 Intermediates for preparation of H-Arg-X-Y-Z-Tyr-R ORTHO PHARMACEUTICAL CORPORATION (US) 1993-10-13 EP disclosed
EP-0042291-B1 METHODS AND COMPOSITIONS FOR PREPARATION OF H-ARG-X-Z-Y-TYR-R ORTHO PHARMACEUTICAL CORPORATION (US) 1986-12-10 EP disclosed
EP-0144103-A2 Methods and compositions for preparation of H-ARG-X-Z-Y-TYR-R ORTHO PHARMACEUTICAL CORPORATION (US) 1985-06-12 EP disclosed
US-4369137-A N-Protected pentapeptides useful as intermediates in the preparation of thymopoietin pentapeptide ORTHO PHARMACEUTICAL CORPORATION (US) 1983-01-18 US disclosed
EP-0042291-A2 Methods and compositions for preparation of H-Arg-X-Z-Y-Tyr-R ORTHO PHARMACEUTICAL CORPORATION (US) 1981-12-23 EP disclosed
US-4298523-A OLIGOPEPTIDES OF ARGININE, LYSINE, VALINE, SARCOSINE, ASPARTIC OR GLUTAMIC ACID, AND TYROSINE ORTHO PHARMACEUTICAL CORPORATION (US) 1981-11-03 US disclosed