SCHEMBL7754005

SCHEMBL7754005

CCCCCCOC=CCO

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.43
LPAR3 Q9UBY5 7/20 0.39
LPAR2 Q9HBW0 6/20 0.39
LPAR1 Q92633 3/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.39
USP2 O75604 1/20 0.38
NAAA Q02083 1/20 0.38

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
SCHEMBL5208789 0.98 MEN1 (0.40) MEN1KMT2ATHRBHTTMAPT
SCHEMBL4632139 0.91
SCHEMBL4632140 0.91
SCHEMBL7756678 0.83 MEN1 (0.45) MEN1KMT2ATHRBHTTMAPT
SCHEMBL14939723 0.82 THRB (0.38) MEN1KMT2ATHRBHTTMAPT
SCHEMBL14939724 0.82 THRB (0.38) MEN1KMT2ATHRBHTTMAPT
SCHEMBL905315 0.82 THRB (0.38) MEN1KMT2ATHRBHTTMAPT
SCHEMBL14939428 0.82 THRB (0.38) MEN1KMT2ATHRBHTTMAPT
SCHEMBL489185 0.82 THRB (0.38) MEN1KMT2ATHRBHTTMAPT
SCHEMBL9997345 0.82 THRB (0.38) MEN1KMT2ATHRBHTTMAPT

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
EP-0835248-B1 1-AMINO-3-BENZYLURACILS BASF AG (DE) 2001-02-21 EP 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