SCHEMBL10385307

SCHEMBL10385307

CCC(C)OC(=O)C(C(=O)O)=C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.38
KMT2A Q03164 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA4 P48058 1/20 0.36
GRIK3 Q13003 1/20 0.36
GRIK5 Q16478 1/20 0.36
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL6356446 0.76 GRIK1 (0.39) GRIK1KMT2AGRIA1GRIA2GRIA4
SCHEMBL2673714 0.76 GPR119 (0.38) KMT2AMAPTALDH1A1
SCHEMBL9521958 0.74 ADRA1A (0.34) MAPTTP53
SCHEMBL20262411 0.73 KMT2A (0.49) GRIK1KMT2AGRIA1GRIA2GRIA4
SCHEMBL17266586 0.72 MAPT (0.39) MAPTTP53
SCHEMBL20262491 0.71 ADRA1A (0.47) GRIK1KMT2AGRIA1GRIA2GRIA4
SCHEMBL9621035 0.71 ADRA1A (0.57) MAPTTP53
SCHEMBL10456507 0.70 MAPT (0.38) MAPTTP53
SCHEMBL9819387 0.70 GRIK1 (0.42) GRIK1GRIA1GRIA2GRIA4GRIK3
SCHEMBL3205780 0.69 MAPT (0.37) MAPTTP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4958044-A 2-aza-4-(alkoxycarbonyl)spiro[4,5]-decan-3-one LONZA LTD. (CH) 1990-09-18 US disclosed
US-4956473-A ANTICONVULSANTS LONZA LTD. (CH) 1990-09-11 US disclosed