SCHEMBL9565155

SCHEMBL9565155

CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCC(N)C(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(Cc1ccccc1)C(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSD P07339 4/20 0.47
CASP3 P42574 2/20 0.47
CASP1 P29466 2/20 0.47
CASP9 P55211 1/20 0.47
CASP7 P55210 1/20 0.46
CTSL P07711 1/20 0.44
OPRD1 P41143 4/20 0.43
CCKBR P32239 3/20 0.43
CCKAR P32238 3/20 0.43
REN P00797 4/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
BACE1 P56817 2/20 0.43

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
SCHEMBL11399274 0.92 CTSD (0.43) CTSDCASP3CASP1CASP9CASP7
SCHEMBL8612027 0.83 CTSS (0.54) CTSDCASP3CASP1CASP9CASP7
SCHEMBL7275592 0.81 GNPAT (0.58) CASP3CASP1CASP9CASP7CTSL
SCHEMBL9555165 0.80 CASP3 (0.50) CASP3CASP1CASP9CASP7REN
SCHEMBL29770301 0.80 CTSS (0.60) CTSDCASP3CASP1CASP7CTSL
SCHEMBL8137308 0.80 MEN1 (0.55) CTSDCTSLRENCTSSCTSK
SCHEMBL9411663 0.79 KLK5 (0.52) CTSDCTSSCTSK
SCHEMBL3937813 0.78 PPARA (0.56) CTSSCTSK
SCHEMBL29396254 0.78 PPARA (0.56) CTSSCTSK
SCHEMBL7235877 0.78 CTSS (0.63) CTSLCTSSCTSK

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
EP-0565148-A2 Intermediates for preparation of H-Arg-X-Y-Z-Tyr-R ORTHO PHARMACEUTICAL CORPORATION (US) 1993-10-13 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