SCHEMBL12820064

SCHEMBL12820064

CCCC(COC)NC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 9/20 0.56
PLA2G2A P14555 4/20 0.49
TAS1R3 Q7RTX0 5/20 0.48
TAS1R1 Q7RTX1 5/20 0.48
ACACB O00763 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
SCHEMBL24124368 0.89 PLA2G2C (0.71) PLA2G2CPLA2G2ATAS1R3TAS1R1ACACB
SCHEMBL22083015 0.85 PLA2G2C (0.46) PLA2G2CPLA2G2ATAS1R3TAS1R1ACACB
SCHEMBL17506705 0.83 TAS1R3 (0.47) PLA2G2CPLA2G2ATAS1R3TAS1R1ACACB
SCHEMBL13888611 0.83 TAS1R3 (0.47) PLA2G2CPLA2G2ATAS1R3TAS1R1ACACB
SCHEMBL10033481 0.83 TAS1R3 (0.50) PLA2G2CPLA2G2ATAS1R3TAS1R1
SCHEMBL13316539 0.81 TAS1R3 (0.46) PLA2G2CPLA2G2ATAS1R3TAS1R1
SCHEMBL15780011 0.79 PLA2G2C (0.43) PLA2G2CPLA2G2ATAS1R3TAS1R1ACACB
SCHEMBL18221484 0.79 PLA2G2C (0.43) PLA2G2CPLA2G2ATAS1R3TAS1R1ACACB
SCHEMBL8367402 0.79 TAS1R3 (0.46) PLA2G2CPLA2G2ATAS1R3TAS1R1ACACB
SCHEMBL9005272 0.77 PLA2G2C (0.49) PLA2G2CPLA2G2ATAS1R3TAS1R1ACACB

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
WO-2011032277-A1 QUINAZOLINONE DERIVATIVES AS VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 WO disclosed