SCHEMBL1999610

SCHEMBL1999610

CC(C)(O)CCc1c(O)cc(O)c2c1OCC(c1ccc(O)cc1O)C2=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.51
SOAT2 O75908 1/20 0.42
SOAT1 P35610 1/20 0.42
TYR P14679 1/20 0.39
BACE1 P56817 3/20 0.39
PTPN1 P18031 2/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ESR1 P03372 7/20 0.37
ESR2 Q92731 7/20 0.37
CACNA1G O43497 1/20 0.35
CACNA1H O95180 1/20 0.35
SLC5A1 P13866 1/20 0.35
SLC5A2 P31639 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35

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
SCHEMBL571650 0.80 HSP90AA1 (0.77) HSP90AA1TYRBACE1PTPN1MAOA
Water SCHEMBL1999608 0.79 HSP90AA1 (0.76) HSP90AA1TYRBACE1PTPN1MAOA
SCHEMBL29876414 0.79 HSP90AA1 (0.48) HSP90AA1TYRPTPN1MAOAMAOB
SCHEMBL29737519 0.71 TDP1 (0.53) TYRPTPN1MAOAMAOBESR1
SCHEMBL28824122 0.68 TYR (0.54) HSP90AA1TYRPTPN1ESR1ESR2
SCHEMBL29378032 0.68 HSP90AA1 (0.41) HSP90AA1TYRPTPN1
SCHEMBL29377755 0.68 PTPN1 (0.57) HSP90AA1SOAT2TYRPTPN1
SCHEMBL30266617 0.67 HSP90AA1 (1.00) HSP90AA1SOAT2TYRPTPN1MAOA
SCHEMBL27013629 0.67 HSP90AA1 (1.00) HSP90AA1SOAT2TYRPTPN1MAOA
SCHEMBL13360711 0.67 HSP90AA1 (0.70) HSP90AA1TYRBACE1PTPN1MAOA

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-10184138-B2 Bacteria engineered for conversion of ethylene to ethanol THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-01-22 US disclosed
US-20170137846-A1 BACTERIA ENGINEERED FOR CONVERSION OF ETHYLENE TO N-BUTANOL THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-05-18 US disclosed
WO-2015191611-A1 BACTERIA ENGINEERED FOR CONVERSION OF ETHYLENE TO N-BUTANOL THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-12-17 WO disclosed
WO-2011076689-A1 METHOD FOR PRODUCING AN ALKENE COMPRISING THE STEP OF CONVERTING AN ALCOHOL BY AN ENZYMATIC DEHYDRATION STEP MARLIERE PHILIPPE (FR) 2011-06-30 WO disclosed
EP-2336340-A1 Method for producing an alkene comprising the step of converting an alcohol by an enzymatic dehydration step Marliere, Philippe (FR) 2011-06-22 EP disclosed