SCHEMBL9258688

SCHEMBL9258688

O=C(O)C(CSSc1ccccc1)N1C(=O)CCC1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
PKM P14618 1/20 0.61
GAA P10253 1/20 0.40
SLC1A2 P43004 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
POLB P06746 3/20 0.37
KMT2A Q03164 2/20 0.37
AADAT Q8N5Z0 1/20 0.37
HSD17B10 Q99714 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL1477670 0.86 ALDH1A1 (0.49) ALDH1A1PKMHDAC3HDAC4HDAC1
SCHEMBL73144 0.82 ALDH1A1 (0.54) ALDH1A1PKMGAASLC1A2HDAC3
SCHEMBL44725 0.81 ALDH1A1 (0.50) ALDH1A1PKMSLC1A2HDAC1HDAC2
SCHEMBL2128258 0.76 ALDH1A1 (0.49) ALDH1A1PKMSLC1A2KMT2AKDM4E
SCHEMBL2304471 0.76 ALDH1A1 (1.00) ALDH1A1PKMGAASLC1A2HDAC3
SCHEMBL1563867 0.76 ALDH1A1 (1.00) ALDH1A1PKMGAASLC1A2HDAC3
SCHEMBL9398017 0.74 ALDH1A1 (0.48) ALDH1A1PKMKMT2AKDM4EMAPT
SCHEMBL616908 0.73 ALDH1A1 (0.54) ALDH1A1PKMPOLBKMT2AHSD17B10
SCHEMBL6386661 0.72 ALDH1A1 (0.90) ALDH1A1PKMGAAHDAC3HDAC4
SCHEMBL14433740 0.70 ALDH1A1 (0.66) ALDH1A1PKMGAAPOLBKMT2A

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-5395924-A Oligosaccharide or glycopeptide bound to lectin and conjugated with cell binding agent, improved targeting of cells for cytolysis DANA-FARBER CANCER INSTITUTE, INC. (US) 1995-03-07 US disclosed
US-5239062-A Blocked lectins, methods and affinity support for making same using affinity ligands, and method of killing selected cell populations having reduced nonselective cytotoxicity DANA-FARBER CANCER INSTITUTE, INC. (US) 1993-08-24 US disclosed