SCHEMBL28840562

SCHEMBL28840562

CC(C)(C)OC(=O)NCC(=O)O.CC(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
CTSK P43235 11/20 0.46
CTSS P25774 9/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CYP2D6 P10635 1/20 0.41
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL148099 0.86 CA1 (0.52) KMT2AMEN1GAACTSKCTSS
SCHEMBL17957327 0.86 CA1 (0.52) KMT2AMEN1GAACTSKCTSS
SCHEMBL256594 0.86 CA1 (0.52) KMT2AMEN1GAACTSKCTSS
SCHEMBL148100 0.86 CA1 (0.52) KMT2AMEN1GAACTSKCTSS
SCHEMBL8536884 0.85 KMT2A (0.57) KMT2AMEN1GAACTSKCTSS
SCHEMBL10760962 0.85 KMT2A (0.57) KMT2AMEN1GAACTSKCTSS
SCHEMBL8536880 0.85 KMT2A (0.57) KMT2AMEN1GAACTSKCTSS
SCHEMBL8140353 0.85 KMT2A (0.49) KMT2AMEN1GAACTSKCTSS
SCHEMBL31314679 0.85 KMT2A (0.49) KMT2AMEN1GAACTSKCTSS
Hydrochloric Acid SCHEMBL30428440 0.84 CA1 (0.50) KMT2AMEN1GAACTSKCTSS

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
CN-105164124-B Compounds and compositions for treating parasitic diseases 诺华股份有限公司 2017-03-15 CN disclosed