SCHEMBL4765360

SCHEMBL4765360

CCCCCCCCCCCCCCCCOC(=O)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.58
NAAA Q02083 1/20 0.55
EPHX1 P07099 1/20 0.52
FAAH O00519 8/20 0.50
CES1 P23141 5/20 0.50
TSHR P16473 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HCAR2 Q8TDS4 1/20 0.47
RAD52 P43351 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL5470496 1.00 CES2 (0.58) CES2NAAAEPHX1FAAHCES1
SCHEMBL28781368 1.00 CES2 (0.58) CES2NAAAEPHX1FAAHCES1
SCHEMBL28472787 1.00 CES2 (0.58) CES2NAAAEPHX1FAAHCES1
SCHEMBL4361492 1.00 CES2 (0.58) CES2NAAAEPHX1FAAHCES1
SCHEMBL1123659 1.00 CES2 (0.58) CES2NAAAEPHX1FAAHCES1
SCHEMBL4080844 1.00 CES2 (0.58) CES2NAAAEPHX1FAAHCES1
SCHEMBL30475134 1.00 CES2 (0.58) CES2NAAAEPHX1FAAHCES1
SCHEMBL2691990 1.00 CES2 (0.58) CES2NAAAEPHX1FAAHCES1
SCHEMBL4255348 1.00 CES2 (0.58) CES2NAAAEPHX1FAAHCES1
SCHEMBL2691404 1.00 CES2 (0.58) CES2NAAAEPHX1FAAHCES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240084343-A1 METHODS OF USING NATURAL AND ENGINEERED ORGANISMS TO PRODUCE SMALL MOLECULES FOR INDUSTRIAL APPLICATION KIVERDI INC (US) 2024-03-14 US disclosed
US-20210115481-A1 Methods of Using Natural and Engineered Organisms to Produce Small Molecules for Industrial Application KIVERDI INC (US) 2021-04-22 US disclosed
US-20170159087-A1 Methods of Using Natural and Engineered Organisms to Produce Small Molecules for Industrial Application KIVERDI, INC. (US) 2017-06-08 US disclosed
US-9556462-B2 Methods of using natural and engineered organisms to produce small molecules for industrial application KIVERDI, INC. (US) 2017-01-31 US disclosed
EP-2971023-A2 METHODS OF USING NATURAL AND ENGINEERED ORGANISMS TO PRODUCE SMALL MOLECULES FOR INDUSTRIAL APPLICATION Kiverdi, Inc. (US) 2016-01-20 EP disclosed
WO-2014145194-A2 METHODS OF USING NATURAL AND ENGINEERED ORGANISMS TO PRODUCE SMALL MOLECULES FOR INDUSTRIAL APPLICATION KIVERDI, INC. (US) 2014-09-18 WO disclosed
US-20140273112-A1 METHODS OF USING NATURAL AND ENGINEERED ORGANISMS TO PRODUCE SMALL MOLECULES FOR INDUSTRIAL APPLICATION KIVERDI, INC. (US) 2014-09-18 US disclosed
EP-1648873-A4 NEUROPROTECTIVE MACROCYLIC COMPOUNDS AND METHODS FOR THEIR USE NEUREN PHARMACEUTICALS LTD (NZ) 2008-06-25 EP disclosed
EP-1648873-A2 NEUROPROTECTIVE MACROCYLIC COMPOUNDS AND METHODS FOR THEIR USE Neuronz Limited (NZ) 2006-04-26 EP disclosed
WO-2004084809-A2 NEUROPROTECTIVE MACROCYLIC COMPOUNDS AND METHODS FOR THEIR USE NEUREN PHARMACEUTICALS LTD. (NZ) 2004-10-07 WO disclosed