SCHEMBL2402800

SCHEMBL2402800

O=C(O)CCC(=O)C(=O)OCCOC(=O)C(=O)CCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 5/20 0.50
MAPK1 P28482 1/20 0.50
SLC13A3 Q8WWT9 1/20 0.50
OR51E2 Q9H255 1/20 0.50
LMNA P02545 6/20 0.47
ALKBH5 Q6P6C2 1/20 0.47
SUCNR1 Q9BXA5 1/20 0.47
SLC15A2 Q16348 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.36
TSHR P16473 2/20 0.35
NFKB1 P19838 1/20 0.35
PMP22 Q01453 1/20 0.35
KDM5C P41229 4/20 0.35
PHF8 Q9UPP1 4/20 0.35
KDM2A Q9Y2K7 4/20 0.35
KDM6B O15054 3/20 0.35
KDM4E B2RXH2 3/20 0.35
FOLH1 Q04609 1/20 0.35
GABRR1 P24046 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL4445881 0.86 FFAR3 (0.44) EGLN1MAPK1SLC13A3OR51E2LMNA
SCHEMBL18735392 0.83 ALDH1A1 (0.48) OR51E2SLC22A6TSHRALDH1A1MEN1
SCHEMBL2177188 0.82 EGLN1 (0.48) EGLN1MAPK1SLC13A3OR51E2LMNA
SCHEMBL9666537 0.81 EGLN1 (0.38) EGLN1MAPK1SLC13A3OR51E2LMNA
SCHEMBL118022 0.80 FAAH (0.47) EGLN1MAPK1SLC13A3OR51E2LMNA
SCHEMBL4166867 0.80 TSHR (0.55) OR51E2SLC22A6TSHRALDH1A1MEN1
SCHEMBL30254792 0.80 TSHR (0.55) OR51E2SLC22A6TSHRALDH1A1MEN1
SCHEMBL4160109 0.80 TSHR (0.55) OR51E2SLC22A6TSHRALDH1A1MEN1
SCHEMBL4157138 0.80 TSHR (0.55) OR51E2SLC22A6TSHRALDH1A1MEN1
SCHEMBL4164193 0.80 TSHR (0.55) OR51E2SLC22A6TSHRALDH1A1MEN1

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
US-11008593-B2 Process for producing 1,3-propanediol compound Photanol, B.V. 2021-05-18 US disclosed
US-20190345523-A1 PROCESS OF PRODUCING AN ORGANIC COMPOUND AND AN INTERMEDIARY COMPOUND UNIVERSITEIT VAN AMSTERDAM (NL) 2019-11-14 US disclosed
US-20190177752-A1 Process for Producing an Organic Compound PHOTANOL BV. (NL) 2019-06-13 US disclosed
US-10131924-B2 Process for producing an organic compound and an intermediary compound PHOTANOL B.V. (NL) 2018-11-20 US disclosed
US-20160083756-A1 PROCESS FOR PRODUCING AN ORGANIC COMPOUND RENOLIT HEALTHCARE B.V. (NL) 2016-03-24 US disclosed
US-9228210-B2 Process for producing an organic compound PHOTANOL B.V. (NL) 2016-01-05 US disclosed
US-20110212498-A1 LIGHT-DRIVEN CO2 REDUCTION TO ORGANIC COMPOUNDS TO SERVE AS FUELS OR AS INDUSTRIAL HALF PRODUCTS BY AN AUTOTROPH CONTAINING A FERMENTATIVE GENE CASSETTE UNIVERSITEIT VAN AMSTERDAM (NL) 2011-09-01 US disclosed