SCHEMBL11599295

SCHEMBL11599295

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.60
REN P00797 7/20 0.59
CTSS P25774 4/20 0.55
CTSK P43235 3/20 0.55
CTSB P07858 1/20 0.55
ACE P12821 1/20 0.51
PTPN1 P18031 1/20 0.49
AKT1 P31749 1/20 0.49

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
SCHEMBL11598856 0.94 BCL2 (0.57) CTSLRENPTPN1
SCHEMBL10887447 0.93 PPARA (0.53) CTSLRENCTSSCTSKCTSB
SCHEMBL11599337 0.93 PPARA (0.53) CTSLRENCTSSCTSKCTSB
SCHEMBL14997847 0.93 PPARA (0.53) CTSLRENCTSSCTSKCTSB
SCHEMBL11598828 0.92 REN (0.53) CTSLRENCTSSCTSKPTPN1
Hydrochloric Acid SCHEMBL11597785 0.92 PPARA (0.52) CTSLRENCTSSCTSKCTSB
SCHEMBL11597960 0.91 REN (0.50) CTSLRENCTSSCTSK
SCHEMBL17446708 0.91 CTSS (0.56) CTSLRENCTSSCTSKCTSB
SCHEMBL11598195 0.90 REN (0.62) CTSLRENCTSSCTSKPTPN1
SCHEMBL11050756 0.90 CTSS (0.60) CTSLRENCTSSCTSKCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4082736-A NOVEL IMMUNOLOGICAL ADJUVANT COMPOUNDS AND METHODS OF PREPARATION THEREOF SYNTEX (U.S.A.) INC. (US) 1978-04-04 US disclosed
US-4082735-A NOVEL IMMUNOLOGICAL ADJUVANT COMPOUNDS AND METHODS OF PREPARATION THEREOF SYNTEX (U.S.A.) INC. (US) 1978-04-04 US disclosed