SCHEMBL8923932

SCHEMBL8923932

CCCCCCCCCC1(c2ccccc2)CCCCC1=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
MMP9 P14780 1/20 0.47
CYP19A1 P11511 14/20 0.46

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
SCHEMBL15043630 0.88 GRIN1 (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15043648 0.83 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9680938 0.82 ALOX12 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11377939 0.82 GRIN1 (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9453947 0.79 MMP2 (0.60) MMP2MMP3MMP9
SCHEMBL8861291 0.79 BACE1 (0.41)
SCHEMBL10178152 0.78 GRIN1 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11605620 0.78 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL435025 0.77 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL435389 0.75 HTT (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
US-5650519-A Optically active 5, 5-disubstituted-3-(mono- or disubstituted amino)-2-thiohydantoin intermediates to fungicidal 2-imidazolin-5-ones RHONE-POULENC AGROCHIMIE (FR) 1997-07-22 US disclosed
US-5637729-A AGRICULTURE RHONE-POULENC AGROCHIMIE (FR) 1997-06-10 US disclosed
US-5514719-A Fungicidal phenylbenzamides RHONE-POULENC AGROCHIMIE (FR) 1996-05-07 US disclosed