SCHEMBL6450401

SCHEMBL6450401

CCC(C)C/C(=C/C(=O)O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
TSHR P16473 1/20 0.45
GRIK1 P39086 9/20 0.36
GRIK2 Q13002 5/20 0.36
GRIA2 P42262 2/20 0.36
GRIA4 P48058 2/20 0.36
GRIK3 Q13003 2/20 0.36
GRIK5 Q16478 2/20 0.36
GRIA1 P42261 1/20 0.36

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
SCHEMBL11752118 1.00 KDM4E (0.45) KDM4ETSHRGRIK1GRIK2GRIA2
SCHEMBL11746179 0.84 TSHR (0.42) KDM4ETSHRGRIK1GRIK2GRIA2
SCHEMBL11748378 0.82 KDM4E (0.43) KDM4ETSHRGRIK1GRIK2GRIA2
SCHEMBL3627154 0.80 KDM4E (0.50) KDM4ETSHRGRIK1GRIK2GRIA2
SCHEMBL7700265 0.80 KDM4E (0.50) KDM4ETSHRGRIK1GRIK2GRIA2
SCHEMBL3627155 0.80 KDM4E (0.50) KDM4ETSHRGRIK1GRIK2GRIA2
SCHEMBL11747407 0.80 KDM4E (0.42) KDM4ETSHRGRIK1GRIK2GRIA2
SCHEMBL10937515 0.78 KDM4E (0.48) KDM4ETSHRGRIK1GRIK2GRIA2
SCHEMBL10937503 0.78 KDM4E (0.48) KDM4ETSHRGRIK1GRIK2GRIA2
SCHEMBL8778828 0.78 KDM4E (0.48) KDM4ETSHRGRIK1GRIK2GRIA2

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
EP-1565509-A1 CATALYTIC COMPOSITION OF ORGANOTIN COMPOUNDS Crompton GmbH (DE) 2005-08-24 EP disclosed
WO-2004050742-A1 CATALYTIC COMPOSITION OF ORGANOTIN COMPOUNDS CROMPTON GMBH (DE) 2004-06-17 WO disclosed