SCHEMBL6537553

SCHEMBL6537553

CC(C)(C)OC(=O)C(O)CCCCN.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 6/20 0.39
GSR P00390 1/20 0.33
RNPEP Q9H4A4 1/20 0.33
NOS1 P29475 2/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
ITGB3 P05106 2/20 0.30
ITGA2B P08514 2/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL28189283 0.92 CPB2 (0.40) CPB2GSRRNPEPITGB3ITGA2B
SCHEMBL133019 0.92 CPB2 (0.44) CPB2GSRRNPEPNOS1NOS3
SCHEMBL2567893 0.90 CPB2 (0.46) CPB2GSRRNPEPNOS1NOS3
SCHEMBL2177004 0.87 CPB2 (0.38) CPB2GSRRNPEPNOS1NOS3
SCHEMBL9242626 0.81 GPR84 (0.42) CPB2NOS1NOS3NOS2MEN1
SCHEMBL7110422 0.79 NOS1 (0.36) CPB2NOS1NOS3NOS2MEN1
SCHEMBL6797401 0.79 NOS1 (0.36) CPB2NOS1NOS3NOS2MEN1
SCHEMBL2099815 0.79 GSR (0.46) CPB2GSRRNPEP
SCHEMBL23151999 0.76 TDP1 (0.44) NOS1NOS3NOS2MEN1GAA
SCHEMBL31460393 0.76 GPR84 (0.52)

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-6808882-B2 ISOLATING PREFERENTIAL NUCLEOTIDE SEQUENCES; OBTAIN NUCLEOTIDE SEQUENCE SAMPLES, ENCAPSULATE INTO MICROCAPSULES, MONITOR GENE EXPRESSION ACTIVITIES MEDICAL RESEARCH COUNCIL (GB) 2004-10-26 US disclosed
US-20020119459-A1 Optical sorting method UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2002-08-29 US disclosed