SCHEMBL1300663

SCHEMBL1300663

CCCCC(C)CC(=O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.47
CA2 P00918 4/20 0.43
MAPK1 P28482 1/20 0.43
CA1 P00915 2/20 0.42
GPR84 Q9NQS5 5/20 0.39
HAO1 Q9UJM8 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL28594144 0.94 ACE2 (0.55) ACE2CA2CA1GPR84HAO1
SCHEMBL1300587 0.86 TSHR (0.44) ACE2CA1GPR84HAO1
SCHEMBL31243245 0.83 MAPK1 (0.37) ACE2MAPK1CA1MAPT
SCHEMBL31243242 0.83 MAPK1 (0.37) ACE2MAPK1CA1MAPT
SCHEMBL301256 0.82 GPR84 (0.52) ACE2CA2MAPK1GPR84MAPT
SCHEMBL4435960 0.82 GPR84 (0.52) ACE2CA2MAPK1GPR84MAPT
SCHEMBL905453 0.82 GPR84 (0.52) ACE2CA2MAPK1GPR84MAPT
Hydrochloric Acid SCHEMBL27778084 0.80 GPR84 (0.50) ACE2CA2MAPK1GPR84MAPT
SCHEMBL28055317 0.80 GPR84 (0.50) ACE2CA2MAPK1GPR84MAPT
SCHEMBL28716932 0.79 ACE2 (0.47) ACE2CA2MAPK1CA1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023636-B2 Microorganisms and methods for the biosynthesis of propylene GENOMATICA, INC. (US) 2015-05-05 US disclosed
US-8617862-B2 Microorganisms for producing propylene and methods related thereto GENOMATICA, INC. (US) 2013-12-31 US disclosed
EP-2563926-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF PROPYLENE Genomatica, Inc. (US) 2013-03-06 EP disclosed
US-20120329119-A1 MICROORGANISMS FOR PRODUCING PROPYLENE AND METHODS RELATED THERETO GENOMATICA, INC. 2012-12-27 US disclosed
WO-2011137198-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF PROPYLENE GENOMATICA, INC. (US) 2011-11-03 WO disclosed
US-20110269204-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF PROPYLENE AGAIN BIO APS (DK) 2011-11-03 US disclosed