SCHEMBL8501843

SCHEMBL8501843

NC(=O)COCCOCCOCCOCCOCCNC(=O)CCS

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.40
CA1 P00915 5/20 0.40
CA9 Q16790 5/20 0.40
CA12 O43570 4/20 0.40
CA4 P22748 4/20 0.40
CA14 Q9ULX7 4/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TLR2 O60603 1/20 0.35
GLP1R P43220 8/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33

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
SCHEMBL12532549 0.85 GLP1R (0.43) CA2CA1CA9CA12CA4
SCHEMBL4283146 0.84 MEN1 (0.41) CA2CA1CA9CA12CA4
SCHEMBL8501834 0.83 CA2 (0.37) CA2CA1CA9CA12CA4
SCHEMBL12858792 0.83 MEN1 (0.42) CA2CA1CA9CA12CA4
SCHEMBL17903281 0.82 CA2 (0.42) CA2CA1CA9CA12CA4
SCHEMBL16127169 0.81 MEN1 (0.39) CA2CA1CA9CA12CA4
SCHEMBL26234016 0.81 EPHX2 (0.42) CA2CA1CA9CA12CA4
SCHEMBL26234035 0.81 CA2 (0.39) CA2CA1CA9CA12CA4
SCHEMBL16358264 0.81 CA2 (0.39) CA2CA1CA9CA12CA4
SCHEMBL22807670 0.81 GLP1R (0.50) GLP1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5858363-A WHEREIN ANTIBODY IS SPECIFIC FOR CELL SURFACE STRUCTURE AND SUPERANTIGEN IS CAPABLE OF ACTIVATING CYTOTOXIC T-CELLS PHARMACIA & UPJOHN AB (IT) 1999-01-12 US disclosed