SCHEMBL160351

SCHEMBL160351

CCCCCCCCC1(C)C(=O)CCCC1C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.36
CYP1A2 P05177 2/20 0.35
HSD17B3 P37058 2/20 0.34
ALOX5 P09917 2/20 0.33
OPRM1 P35372 1/20 0.33
CNR2 P34972 2/20 0.32
CYP19A1 P11511 3/20 0.32
FAAH O00519 1/20 0.32
MGLL Q99685 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
SCHEMBL28172980 0.75 CYP1A2 (0.33) SIRT2CYP1A2
Hexane SCHEMBL28215876 0.70 CYP1A2 (0.40) CYP1A2CNR2CYP19A1
SCHEMBL6742601 0.70 SIRT2 (0.39) SIRT2ALOX5CYP19A1
Heptane SCHEMBL7029738 0.70 CA1 (0.61) CYP1A2ALOX5OPRM1FAAHMGLL
SCHEMBL160352 0.69 CYP1A2 (0.42) CYP1A2CYP19A1
SCHEMBL10959932 0.68 SIRT2 (0.41) SIRT2ALOX5CYP19A1
SCHEMBL8962305 0.68 DNTT (0.43) SIRT2HSD17B3CYP19A1
SCHEMBL11196330 0.67 SIRT2 (0.40) SIRT2ALOX5CYP19A1
SCHEMBL6570244 0.67 SIRT2 (0.44) SIRT2HSD17B3CYP19A1
SCHEMBL8621156 0.67 SIRT2 (0.47) SIRT2ALOX5CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9725580-B2 Rubber compositions with filler and ketoxime or ketoximo silane BRIDGESTONE CORPORATION (JP) 2017-08-08 US disclosed
EP-2611858-B1 RUBBER COMPOSITIONS WITH FILLER AND KETOXIME OR KETOXIMO SILANE BRIDGESTONE CORP (JP) 2016-04-20 EP disclosed
US-20160009904-A1 RUBBER COMPOSITION WITH FILLER AND KETOXIME OR KETOXIMO SILANE BRIDGESTONE CORPORATION (JP) 2016-01-14 US disclosed
US-9163135-B2 Rubber compositions with filler and ketoxime or ketixmo silane BRIDGESTONE CORPORATION (JP) 2015-10-20 US disclosed
US-20130281588-A1 RUBBER COMPOSITIONS WITH FILLER AND KETOXIME OR KETIXMO SILANE BRIDGESTONE CORPORATION (JP) 2013-10-24 US disclosed
EP-2611858-A2 RUBBER COMPOSITIONS WITH FILLER AND KETOXIME OR KETOXIMO SILANE Bridgestone Corporation (JP) 2013-07-10 EP disclosed
WO-2012031005-A9 RUBBER COMPOSITIONS WITH FILLER AND KETOXIME OR KETOXIMO SILANE BRIDGESTONE CORPORATION (JP) 2012-07-19 WO disclosed
WO-2012031005-A2 RUBBER COMPOSITIONS WITH FILLER AND KETOXIME OR KETOXIMO SILANE BRIDGESTONE CORPORATION (JP) 2012-03-08 WO disclosed