SCHEMBL7756691

SCHEMBL7756691

[CH2]CCC=CC(=O)OCCC

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.55
ATM Q13315 1/20 0.48
MAPT P10636 3/20 0.44
APP P05067 3/20 0.44
ALDH1A1 P00352 3/20 0.44
TSHR P16473 3/20 0.41
HPGD P15428 1/20 0.41
ALOX5 P09917 1/20 0.40
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 1/20 0.35

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
SCHEMBL7756597 0.89 ATM (0.66) HCAR2ATMMAPTAPPALDH1A1
SCHEMBL7750747 0.87 HCAR2 (0.59) HCAR2ATMMAPTAPPALDH1A1
SCHEMBL7756679 0.86 HCAR2 (0.60) HCAR2ATMMAPTAPPALDH1A1
SCHEMBL6658417 0.86 HCAR2 (0.67) HCAR2ATMMAPTAPPALDH1A1
SCHEMBL17755418 0.86 HCAR2 (0.67) HCAR2ATMMAPTAPPALDH1A1
SCHEMBL6658420 0.86 HCAR2 (0.67) HCAR2ATMMAPTAPPALDH1A1
SCHEMBL7754008 0.84 HCAR2 (0.59) HCAR2ATMMAPTAPPALDH1A1
SCHEMBL7755132 0.84 MAPT (0.61) HCAR2ATMMAPTALDH1A1RAB9A
SCHEMBL7755137 0.84 MAPT (0.61) HCAR2ATMMAPTALDH1A1RAB9A
SCHEMBL1879844 0.82 ATM (0.61) HCAR2ATMMAPTAPPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0835248-B1 1-AMINO-3-BENZYLURACILS BASF AG (DE) 2001-02-21 EP disclosed
EP-0971904-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 2000-01-19 EP disclosed
WO-1998042682-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 1998-10-01 WO disclosed
CN-1189824-A 1-amino-3-benzyluracils BASF AG (DE) 1998-08-05 CN disclosed
EP-0835248-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1998-04-15 EP disclosed
WO-1997001543-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-01-16 WO disclosed