SCHEMBL9069652

SCHEMBL9069652

CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(OC(=O)CCCCCCCCCCCCCCC)C1OC(=O)CCCCCCCCCCCCCCC

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
CA12 O43570 8/20 0.47
CA1 P00915 8/20 0.47
CA2 P00918 8/20 0.47
CA9 Q16790 8/20 0.47
CA14 Q9ULX7 8/20 0.47
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
MTOR P42345 1/20 0.44
MDM2 Q00987 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
TK2 O00142 2/20 0.43

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
SCHEMBL9069640 0.96 CA12 (0.51) L3MBTL1CA12CA1CA2CA9
SCHEMBL1736874 0.95 L3MBTL1 (0.47) L3MBTL1CA12CA1CA2CA9
SCHEMBL1736872 0.95 L3MBTL1 (0.47) L3MBTL1CA12CA1CA2CA9
SCHEMBL14389334 0.95 L3MBTL1 (0.47) L3MBTL1CA12CA1CA2CA9
SCHEMBL11793955 0.93 L3MBTL1 (0.54) L3MBTL1CA12CA1CA2CA9
SCHEMBL11790211 0.93 L3MBTL1 (0.54) L3MBTL1CA12CA1CA2CA9
SCHEMBL11792665 0.93 L3MBTL1 (0.54) L3MBTL1CA12CA1CA2CA9
SCHEMBL11793977 0.93 L3MBTL1 (0.54) L3MBTL1CA12CA1CA2CA9
SCHEMBL11790762 0.93 L3MBTL1 (0.54) L3MBTL1CA12CA1CA2CA9
SCHEMBL11801053 0.93 L3MBTL1 (0.54) L3MBTL1CA12CA1CA2CA9

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-5583117-A CARDIOVASCULAR, NERVOUS SYSTEM DISORDERS; DIABETES PRO-NEURON, INC. (US) 1996-12-10 US disclosed