SCHEMBL17077902

SCHEMBL17077902

Cc1ccc(C[C]=O)c(C)c1C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.32
NSD2 O96028 1/20 0.32
HSP90AA1 P07900 1/20 0.32
PAX8 Q06710 1/20 0.32

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
SCHEMBL1610895 0.82
SCHEMBL6317062 0.80 ESR1 (0.41)
SCHEMBL11587172 0.78 TDP2 (0.30) TDP2NSD2HSP90AA1PAX8
SCHEMBL1823374 0.77 MEN1 (0.34)
SCHEMBL28760807 0.76 GABRA1 (0.32) TDP2NSD2HSP90AA1PAX8
SCHEMBL598503 0.75 TDP2 (0.37) TDP2NSD2HSP90AA1PAX8
SCHEMBL31095112 0.75 TDP2 (0.37) TDP2NSD2HSP90AA1PAX8
SCHEMBL1610549 0.74
SCHEMBL15864657 0.74 P2RX7 (0.35)
SCHEMBL395861 0.73 TDP2 (0.36) TDP2NSD2HSP90AA1PAX8

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-20170298224-A1 Oxygen Scavenging Composition for Plastic Material CLARIANT INTERNATIONAL LTD. (CH) 2017-10-19 US disclosed
WO-2015135635-A1 OXYGEN SCAVENGING COMPOSITION FOR PLASTIC MATERIAL CLARIANT INTERNATIONAL LTD (CH) 2015-09-17 WO disclosed