SCHEMBL7754371

SCHEMBL7754371

CCCCOC=CCC[O]

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.34
CYP3A4 P08684 1/20 0.33
TSHR P16473 3/20 0.32
LPAR3 Q9UBY5 2/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32
FAAH O00519 2/20 0.31
TRPV1 Q8NER1 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL7755103 0.94 LPAR3 (0.35) TSHRLPAR3LPAR1LPAR2FAAH
SCHEMBL7756673 0.92 FAAH (0.38) TSHRLPAR3LPAR1LPAR2FAAH
SCHEMBL7754323 0.89 LPAR3 (0.35) ATMCYP3A4TSHRLPAR3HPGD
SCHEMBL7754401 0.86
SCHEMBL28146382 0.84 ADRB2 (0.36) ATMCYP3A4TSHRLPAR3HPGD
SCHEMBL16863887 0.84 LPAR3 (0.38) TSHRLPAR3ALDH1A1ADRB2ADRB1
SCHEMBL27677868 0.84 LPAR3 (0.38) TSHRLPAR3ALDH1A1ADRB2ADRB1
SCHEMBL7755345 0.83 LPAR3 (0.38) LPAR3LPAR1LPAR2FAAHTRPV1
SCHEMBL7756685 0.82
SCHEMBL7770457 0.82 FAAH (0.45) ATMCYP3A4TSHRLPAR3FAAH

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 4 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
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