SCHEMBL11300643

SCHEMBL11300643

CCC(=O)OCn1ncc(=O)[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.56
GRIA2 P42262 1/20 0.56
GRIA4 P48058 1/20 0.56
GRIK5 Q16478 1/20 0.56
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
HIF1A Q16665 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
BLM P54132 1/20 0.47
WRN Q14191 1/20 0.47
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
THRB P10828 1/20 0.38
GAA P10253 2/20 0.36
PDE3A Q14432 2/20 0.35
NPSR1 Q6W5P4 3/20 0.34
NPC1 O15118 3/20 0.34
KDM4E B2RXH2 2/20 0.34
S1PR2 O95136 2/20 0.34

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
SCHEMBL11304991 0.86 GRIA1 (0.54) GRIA1GRIA2GRIA4GRIK5ALDH1A1
SCHEMBL11407099 0.74 NPSR1 (0.47) GRIA1GRIA2GRIA4GRIK5ALDH1A1
SCHEMBL11402130 0.73 GRIA1 (0.49) GRIA1GRIA2GRIA4GRIK5ALDH1A1
SCHEMBL9540945 0.72 GRIA1 (0.56) GRIA1GRIA2GRIA4GRIK5ALDH1A1
SCHEMBL9393490 0.72 GRIA1 (1.00) GRIA1GRIA2GRIA4GRIK5ALDH1A1
SCHEMBL9393484 0.72 GRIA1 (1.00) GRIA1GRIA2GRIA4GRIK5ALDH1A1
SCHEMBL9396137 0.72 GRIA1 (1.00) GRIA1GRIA2GRIA4GRIK5ALDH1A1
SCHEMBL11403127 0.71 ALDH1A1 (0.46) GRIA1GRIA2GRIA4GRIK5ALDH1A1
SCHEMBL24599140 0.71 GRIA1 (0.44) GRIA1GRIA2GRIA4GRIK5HIF1A
SCHEMBL6268666 0.69 PDE3A (0.47) GRIA1GRIA2GRIA4GRIK5CYP1A2

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
JP-56083480-A None JP disclosed
US-4297129-A HERBICIDES; WILD OATS; NONPHYTOTOXIC SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-10-27 US disclosed
JP-S5683480-A 2,3,4,5-TETRAHYDRO-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE, ITS PREPARATION AND HERBICIDE CONTAINING THE SAME AS ACTIVE CONSTITUENT SUMITOMO CHEM CO LTD 1981-07-08 JP disclosed