SCHEMBL7302236

SCHEMBL7302236

N=C(NC(=O)OCc1ccccc1)c1ccc(OCCCCCC(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.54
ITGB3 P05106 4/20 0.50
ITGA2B P08514 4/20 0.50
HTT P42858 1/20 0.50
FFAR1 O14842 2/20 0.47
S1PR1 P21453 2/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
S1PR3 Q99500 1/20 0.46
S1PR5 Q9H228 1/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46

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
SCHEMBL7297510 1.00 PPARA (0.54) PPARAITGB3ITGA2BHTTFFAR1
SCHEMBL7302421 0.99 PPARA (0.55) PPARAITGB3ITGA2BHTTFFAR1
SCHEMBL7292456 0.95 HTT (0.52) PPARAITGB3ITGA2BHTTFFAR1
SCHEMBL8177159 0.90 ITGB3 (0.51) ITGB3ITGA2BHTTMAPTL3MBTL1
SCHEMBL8175391 0.88 ITGB3 (0.49) ITGB3ITGA2BHTTMAPTL3MBTL1
SCHEMBL7296429 0.88 LTA4H (0.53) ITGB3ITGA2BMAPTL3MBTL1LTA4H
SCHEMBL7295145 0.88 LTA4H (0.53) ITGB3ITGA2BMAPTL3MBTL1LTA4H
SCHEMBL14367308 0.87 L3MBTL1 (0.55) ITGB3ITGA2BMAPTL3MBTL1HDAC1
SCHEMBL7293967 0.87 LTA4H (0.54) ITGB3ITGA2BMAPTL3MBTL1LTA4H
SCHEMBL8174116 0.86 MAPT (0.48) ITGB3ITGA2BMAPTL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5574016-A Peptide compound and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-12 US disclosed
EP-0513675-B1 New peptide compound and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1996-09-11 EP disclosed
EP-0513675-A1 New peptide compound and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP disclosed