SCHEMBL1082276

SCHEMBL1082276

CCC(C)C=CC(=O)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.37
RXRA P19793 1/20 0.34
GAPDH P04406 1/20 0.33
GABRP O00591 2/20 0.30
GABRD O14764 2/20 0.30
GABRA1 P14867 2/20 0.30
GABRB1 P18505 2/20 0.30
GABRG2 P18507 2/20 0.30
GABRB3 P28472 2/20 0.30
GABRA5 P31644 2/20 0.30
GABRA3 P34903 2/20 0.30
GABRA2 P47869 2/20 0.30
GABRB2 P47870 2/20 0.30
GABRA4 P48169 2/20 0.30
GABRE P78334 2/20 0.30
GABRA6 Q16445 2/20 0.30
GABRG1 Q8N1C3 2/20 0.30
GABRG3 Q99928 2/20 0.30
GABRQ Q9UN88 2/20 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
SCHEMBL4064452 0.81 GAPDH (0.48) GAPDHGABRPGABRDGABRA1GABRB1
SCHEMBL18753087 0.78
SCHEMBL20356933 0.78
SCHEMBL2592835 0.78
SCHEMBL2592834 0.78
SCHEMBL1156682 0.78
SCHEMBL6722055 0.78
SCHEMBL6717535 0.78
SCHEMBL6717539 0.78
SCHEMBL6722054 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8907129-B2 Process for preparing decanecarboxylic acids EVONIK DEGUSSA GMBH (DE) 2014-12-09 US disclosed
US-20120172624-A1 PROCESS FOR PREPARING DECANECARBOXYLIC ACIDS EVONIK OXENO GMBH (DE) 2012-07-05 US disclosed
EP-2456745-A2 METHOD FOR THE PRODUCTION OF DECANECARBOXYLIC ACIDS Evonik Oxeno GmbH (DE) 2012-05-30 EP disclosed
WO-2011009657-A2 METHOD FOR THE PRODUCTION OF DECANECARBOXYLIC ACIDS EVONIK OXENO GMBH (DE) 2011-01-27 WO disclosed
US-6340778-B1 ALDOL CONDENSATION OF ALDEHYDE IN THE PRESENCE OF A CATALYST OXENO OLEFINCHEMIE GMBH (DE) 2002-01-22 US disclosed