SCHEMBL60117

SCHEMBL60117

CCCOC(=O)[C@@H](N)CCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 1/20 0.38
HCAR2 Q8TDS4 1/20 0.35
SPHK1 Q9NYA1 4/20 0.35
SPHK2 Q9NRA0 1/20 0.35
SLC1A2 P43004 3/20 0.34
SLC1A1 P43005 3/20 0.34
SLC1A3 P43003 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GRIK1 P39086 2/20 0.34
GRIK2 Q13002 2/20 0.34
LMNA P02545 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL3452377 0.88 ALDH1A1 (0.47) NOD1HCAR2SPHK1SPHK2ALDH1A1
SCHEMBL27876244 0.88 ALDH1A1 (0.47) NOD1HCAR2SPHK1SPHK2ALDH1A1
SCHEMBL453102 0.87 SLC1A2 (0.41) NOD1HCAR2SLC1A2SLC1A1SLC1A3
SCHEMBL1096747 0.87 SLC1A2 (0.41) NOD1HCAR2SLC1A2SLC1A1SLC1A3
SCHEMBL626357 0.86 NOD1 (0.50) NOD1SPHK1SPHK2TSHRACHE
SCHEMBL28195324 0.85 NOD1 (0.52) NOD1SPHK1SPHK2TSHRACHE
SCHEMBL8998302 0.85 TSHR (0.38) NOD1SLC1A2SLC1A1SLC1A3ALDH1A1
SCHEMBL28584864 0.83 ACHE (0.40) NOD1SLC1A2SLC1A1SLC1A3ALDH1A1
SCHEMBL12582815 0.83 HCAR2 (0.38) NOD1HCAR2SPHK1SLC1A2SLC1A1
SCHEMBL13439526 0.83 ALOX15 (0.42) NOD1ALDH1A1LMNA

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4414451-A2 MICROORGANISMS AND METHODS FOR PRODUCTION OF 4 HYDROXYBUTYRATE, 1,4-BUTANEDIOL AND RELATED COMPOUNDS Genomatica, Inc. (US) 2024-08-14 EP disclosed
EP-2989113-B1 MICROORGANISMS AND METHODS FOR PRODUCTION OF 4-HYDROXYBUTYRATE, 1,4-BUTANEDIOL AND RELATED COMPOUNDS GENOMATICA INC (US) 2024-04-10 EP disclosed
EP-4056706-A1 MICROORGANISMS FOR THE PRODUCTION OF 1,4-BUTANEDIOL AND RELATED METHODS Genomatica, Inc. (US) 2022-09-14 EP disclosed
EP-3392340-B1 MICROORGANISMS FOR THE PRODUCTION OF 1,4-BUTANEDIOL AND RELATED METHODS GENOMATICA INC (US) 2022-01-05 EP disclosed
CN-113528417-A Microorganisms for producing 1, 4-butanediol and related methods 基因组股份公司 2021-10-22 CN disclosed
CN-107384846-B Microorganisms for producing 1, 4-butanediol and related methods 基因组股份公司 2021-08-10 CN disclosed
EP-3831951-A2 MICROORGANISMS AND METHODS FOR PRODUCTION OF 4-HYDROXYBUTYRATE, 1,4-BUTANEDIOL AND RELATED COMPOUNDS Genomatica, Inc. (US) 2021-06-09 EP disclosed
EP-2855687-B1 MICROORGANISMS AND METHODS FOR PRODUCTION OF 4-HYDROXYBUTYRATE, 1,4-BUTANEDIOL AND RELATED COMPOUNDS GENOMATICA INC (US) 2020-04-22 EP disclosed
US-20190264240-A1 MICROORGANISMS FOR THE PRODUCTION OF 1,4-BUTANEDIOL, 4-HYDROXYBUTANAL, 4-HYDROXYBUTYRYL-COA, PUTRESCINE AND RELATED COMPOUNDS, AND METHODS RELATED THERETO GENOMATICA INC (US) 2019-08-29 US disclosed
EP-3514242-A2 MICRORGANISMS FOR THE PRODUCTION OF 1,4-BUTANEDIOL Genomatica, Inc. (US) 2019-07-24 EP disclosed
US-20160053287-A1 MICROORGANISMS FOR THE PRODUCTION OF 1,4-BUTANEDIOL GENOMATICA INC (US) 2016-02-25 US disclosed
US-9175297-B2 Microorganisms for the production of 1,4-Butanediol GENOMATICA, INC. (US) 2015-11-03 US disclosed
US-20130109069-A1 MICROORGANISMS FOR THE PRODUCTION OF 1,4-BUTANEDIOL GENOMATICA, INC. (US) 2013-05-02 US disclosed
US-20130071886-A1 MICROORGANISMS FOR THE PRODUCTION OF 1,4-BUTANEDIOL GENOMATICA, INC. (US) 2013-03-21 US disclosed
CN-102762735-A Microorganisms producing 1, 4-butanediol, 4-hydroxybutyraldehyde, 4-hydroxybutyryl-COA, putrescine and related compounds and related methods GENOMATICA INC 2012-10-31 CN disclosed
CN-102498215-A Microorganisms for producing 1, 4-butanediol and related methods GENOMATICA INC 2012-06-13 CN disclosed
US-8129156-B2 Microorganisms for the production of 1,4-butanediol GENOMATICA, INC. (US) 2012-03-06 US disclosed
US-20110159572-A1 MICROORGANISMS FOR THE PRODUCTION OF 1,4-BUTANEDIOL GENOMATICA, INC. (US) 2011-06-30 US disclosed
US-7858350-B2 Microorganisms for the production of 1,4-butanediol GENOMATICA, INC. (US) 2010-12-28 US disclosed
US-20100112654-A1 MICROORGANISMS FOR THE PRODUCTION OF 1,4-BUTANEDIOL AGAIN BIO APS (DK) 2010-05-06 US disclosed