SCHEMBL9258784

SCHEMBL9258784

CCOC(=O)c1cnc2nc(CCC(=O)OC(=O)c3cnc4nc(C)c(OCC)cc4c3Nc3ccc(OC)cc3)c(OCC)cc2c1Nc1ccc(OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.49
MAPT P10636 9/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
THRB P10828 1/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
SLC2A1 P11166 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
TP53 P04637 3/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
CLK1 P49759 1/20 0.44
NPC1 O15118 1/20 0.43
PAX8 Q06710 1/20 0.42

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
SCHEMBL8563378 0.90 PDE4B (0.59) PDE4BMAPTSMN1; SMN2THRBMEN1
SCHEMBL9258775 0.90 PDE4B (0.49) PDE4BMAPTSMN1; SMN2THRBMEN1
Hydrochloric Acid SCHEMBL811230 0.89 PDE4B (0.58) PDE4BMAPTSMN1; SMN2THRBMEN1
SCHEMBL8565074 0.88 PDE4B (0.54) PDE4BMAPTSMN1; SMN2THRBMEN1
Hydrochloric Acid SCHEMBL8561319 0.88 PDE4B (0.53) PDE4BMAPTSMN1; SMN2THRBMEN1
SCHEMBL8558688 0.85 PDE4B (0.60) PDE4BMAPTSMN1; SMN2THRBMEN1
SCHEMBL8559604 0.85 MAPT (0.62) PDE4BMAPTSMN1; SMN2THRBMEN1
SCHEMBL8569260 0.84 PDE4B (0.56) PDE4BMAPTSMN1; SMN2THRBMEN1
Hydrochloric Acid SCHEMBL8565121 0.84 PDE4B (0.58) PDE4BMAPTSMN1; SMN2THRBMEN1
Hydrochloric Acid SCHEMBL8561142 0.84 MAPT (0.61) PDE4BMAPTSMN1; SMN2THRBMEN1

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-5464781-A TREATING RHEUMATIC DISEASES THE BOOTS COMPANY PLC (GB) 1995-11-07 US disclosed