SCHEMBL11830100

SCHEMBL11830100

CNC(=O)C(C)(C)Oc1ccc(-c2ccc(N3CCCCC3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.49
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
ALDH1A1 P00352 6/20 0.45
ALOX15 P16050 3/20 0.45
HTT P42858 2/20 0.45
MAPK1 P28482 2/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
GFER P55789 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 5/20 0.43
RAB9A P51151 3/20 0.43
NR4A1 P22736 1/20 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
SCHEMBL11832669 0.88 ITGB3 (0.49) MAPTITGB3ITGA2BALDH1A1ALOX15
SCHEMBL11837846 0.87 MAPT (0.47) MAPTITGB3ITGA2BALDH1A1ALOX15
SCHEMBL11835140 0.86 ITGB3 (0.62) MAPTITGB3ITGA2BALDH1A1ALOX15
SCHEMBL11837072 0.86 MAPT (0.46) MAPTITGB3ITGA2BALDH1A1ALOX15
SCHEMBL11825953 0.85 ITGB3 (0.54) MAPTITGB3ITGA2BALDH1A1ALOX15
SCHEMBL11837853 0.84 MAPT (0.46) MAPTITGB3ITGA2BALDH1A1ALOX15
SCHEMBL11841185 0.84 DRD4 (0.44) MAPTITGB3ITGA2BALDH1A1ALOX15
SCHEMBL11831414 0.84 ITGB3 (0.46) MAPTITGB3ITGA2BALDH1A1ALOX15
SCHEMBL11841659 0.83 MAPT (0.44) MAPTITGB3ITGA2BALDH1A1ALOX15
SCHEMBL11830077 0.83 ITGB3 (0.46) MAPTITGB3ITGA2BALDH1A1ALOX15

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-3956334-A CHOLESTEROL AND TRIGLYCERIDE LOWERING ACTIVITY IN BLOOD MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-05-11 US disclosed