SCHEMBL2108417

SCHEMBL2108417

CC(C)C(C)(CC=CCl)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31

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
SCHEMBL295881 1.00 GRIK1 (0.31) GRIK1GRIK2
SCHEMBL9978452 0.79 DGAT1 (0.38)
SCHEMBL622757 0.78 GRIK1 (0.32) GRIK1GRIK2
SCHEMBL622756 0.78 GRIK1 (0.32) GRIK1GRIK2
SCHEMBL661765 0.77 TSHR (0.32)
SCHEMBL663368 0.77 TSHR (0.32)
SCHEMBL11028495 0.72 TSHR (0.35)
SCHEMBL14425429 0.69
SCHEMBL277198 0.69 TSHR (0.36)
SCHEMBL15592487 0.69 TSHR (0.36)

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-8158393-B2 Polypeptide having esterase activity and recombinant esterase and use thereof DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AU) 2012-04-17 US disclosed
CN-101351548-A Novel polypeptide having esterase activity and recombinant esterase and use thereof DSM FINE CHEM AUSTRIA GMBH (AT) 2009-01-21 CN disclosed