SCHEMBL11050756

SCHEMBL11050756

CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.60
PPARA Q07869 2/20 0.58
PPARG P37231 1/20 0.53
REN P00797 6/20 0.50
RAB9A P51151 1/20 0.50
KLK7 P49862 3/20 0.49
KLK5 Q9Y337 3/20 0.49
CTSL P07711 2/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CTSK P43235 2/20 0.45
CTSB P07858 1/20 0.44

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
SCHEMBL11173868 0.93 CTSS (0.61) CTSSPPARAPPARGRENRAB9A
SCHEMBL14997847 0.91 PPARA (0.53) CTSSPPARAPPARGRENKLK7
SCHEMBL11599337 0.91 PPARA (0.53) CTSSPPARAPPARGRENKLK7
SCHEMBL10887447 0.91 PPARA (0.53) CTSSPPARAPPARGRENKLK7
SCHEMBL11271562 0.91 CTSS (0.58) CTSSPPARAPPARGRENRAB9A
SCHEMBL8434087 0.90 PPARA (0.60) CTSSPPARAPPARGRENRAB9A
SCHEMBL8432283 0.90 PPARA (0.60) CTSSPPARAPPARGRENRAB9A
SCHEMBL11599295 0.90 CTSL (0.60) CTSSRENCTSLCTSKCTSB
SCHEMBL11598828 0.90 REN (0.53) CTSSPPARARENKLK7KLK5
SCHEMBL11647014 0.90 CTSS (0.62) CTSSPPARAPPARGRENRAB9A

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-4430265-A IMMUNOSTIMULATORY ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-02-07 US disclosed
EP-0002677-B1 GLUCOSAMINE-PEPTIDE DERIVATIVES AND THEIR PHARMACEUTICAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 1982-10-13 EP disclosed
EP-0002677-A1 Glucosamine-peptide derivatives and their pharmaceutical compositions Takeda Chemical Industries, Ltd. (JP) 1979-07-11 EP disclosed
US-4082735-A NOVEL IMMUNOLOGICAL ADJUVANT COMPOUNDS AND METHODS OF PREPARATION THEREOF SYNTEX (U.S.A.) INC. (US) 1978-04-04 US disclosed