SCHEMBL6160839

SCHEMBL6160839

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.44
GABRR1 P24046 2/20 0.43
CYP1A2 P05177 1/20 0.43
BLM P54132 1/20 0.42
LTA4H P09960 1/20 0.35
TP53 P04637 1/20 0.33
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
BHMT Q93088 1/20 0.31
BHMT2 Q9H2M3 1/20 0.31
FOLH1 Q04609 2/20 0.31
NAALAD2 Q9Y3Q0 2/20 0.31
ENPEP Q07075 2/20 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
SCHEMBL13046473 0.81 ACE2 (0.48) ACE2GABRR1CYP1A2BLMLTA4H
SCHEMBL482698 0.72 TP53 (0.38) TP53
SCHEMBL308149 0.72 TP53 (0.38) TP53
SCHEMBL5139179 0.72 GABRR1 (0.72) ACE2GABRR1CYP1A2BLMLTA4H
SCHEMBL9069956 0.72 BLM (0.57) ACE2GABRR1CYP1A2BLMLTA4H
SCHEMBL9808870 0.72 ACE2 (0.40) ACE2GABRR1CYP1A2BLMLTA4H
SCHEMBL13235891 0.71 ACE2 (0.34) ACE2GABRR1CYP1A2BLM
SCHEMBL19664507 0.71 TRPA1 (0.30)
SCHEMBL15062403 0.69 ACE2 (0.59) ACE2GABRR1CYP1A2BLMLTA4H
SCHEMBL14701889 0.69 ACE2 (0.59) ACE2GABRR1CYP1A2BLMLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1515934-A1 METHOD FOR PRODUCING C13-ALCOHOL MIXTURES Oxeno Olefinchemie GmbH (DE) 2005-03-23 EP disclosed
EP-1503977-A1 METHOD FOR THE RHODIUM-CATALYSED HYDROFORMYLATION OF OLEFINS WITH REDUCTION OF RHODIUM LOSSES Oxeno Olefinchemie GmbH (DE) 2005-02-09 EP disclosed
WO-2003095402-A1 METHOD FOR PRODUCING C13-ALCOHOL MIXTURES OXENO OLEFINCHEMIE GMBH (DE) 2003-11-20 WO disclosed
WO-2003095406-A1 METHOD FOR THE RHODIUM-CATALYSED HYDROFORMYLATION OF OLEFINS WITH REDUCTION OF RHODIUM LOSSES OXENO OLEFINCHEMIE GMBH (DE) 2003-11-20 WO disclosed
EP-0797633-A1 AQUEOUS COATING MATERIAL AND ITS USE IN METHODS FOR SINGLE AND MULTI-COAT PAINTING Herberts Gesellschaft mit beschränkter Haftung (DE) 1997-10-01 EP disclosed
WO-1996018693-A1 AQUEOUS COATING MATERIAL AND ITS USE IN METHODS FOR SINGLE AND MULTI-COAT PAINTING Herberts Gesellschaft mit beschränkter Haftung (DE) 1996-06-20 WO disclosed
EP-0076511-A2 Process to produce an aqueous copolymer dispersions, and their utilisation Wacker-Chemie GmbH (DE) 1983-04-13 EP disclosed