SCHEMBL6546992

SCHEMBL6546992

CC(C)(C)OC(=O)N[C@H](C(=O)OC(C)(C)C)c1cccc(N)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.47
CTSS P25774 1/20 0.47
S1PR3 Q99500 2/20 0.43
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
KLK5 Q9Y337 2/20 0.41
GABRB1 P18505 1/20 0.40
GABRB2 P47870 1/20 0.40
CPN1 P15169 1/20 0.38
CPB2 Q96IY4 1/20 0.38
MAPT P10636 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
SCHEMBL3618570 0.93 CTSS (0.46) CTSKCTSSS1PR3ADRB2ADRB1
SCHEMBL10093129 0.93 CTSS (0.46) CTSKCTSSS1PR3ADRB2ADRB1
SCHEMBL2233904 0.89 CTSK (0.50) CTSKCTSSS1PR3KLK5GABRB1
SCHEMBL11065297 0.89 CTSK (0.50) CTSKCTSSS1PR3KLK5GABRB1
SCHEMBL9261922 0.89 CTSK (0.50) CTSKCTSSS1PR3KLK5GABRB1
SCHEMBL4960665 0.83 CTSK (0.46) CTSKCTSSADRB2ADRB1ADRB3
SCHEMBL31226578 0.83 CTSK (0.46) CTSKCTSSADRB2ADRB1ADRB3
SCHEMBL22851708 0.83 CTSK (0.46) CTSKCTSSADRB2ADRB1ADRB3
SCHEMBL18435386 0.83 CTSK (0.64) CTSKCTSSS1PR3GABRB1GABRB2
SCHEMBL16791251 0.81 HPGDS (0.49) CTSKCTSSS1PR3KLK5GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142317-A1 Use of amino acid transporter atbo,+ as a delivery system for drugs and prodrugs CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-07-22 US disclosed
EP-1384081-A2 USE OF AMINO ACID TRANSPORTER ATB0,+ AS A DELIVERY SYSTEM FOR DRUGS AND PRODRUGS Medical College Of Georgia Research Institute, Inc. (US) 2004-01-28 EP disclosed
WO-2002083060-A2 USE OF AMINO ACID TRANSPORTER ATB0,+ AS A DELIVERY SYSTEM FOR DRUGS AND PRODRUGS MEDICAL COLLEGE OF GEORGIA RESEARCH INSTITUTE, INC. (US) 2002-10-24 WO disclosed