SCHEMBL3650294

SCHEMBL3650294

CCCCCCCCOS(=O)(=O)[O-].CCOCCOCCOC(=O)Cc1[nH]cc[n+]1C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
EPHX2 P34913 1/20 0.40
BLM P54132 1/20 0.40
NAAA Q02083 1/20 0.31
DGKA P23743 1/20 0.31

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
SCHEMBL3642634 0.99 RECQL (0.41) RECQLGLAHPGDTSHRMAPK1
SCHEMBL3650744 0.95 RECQL (0.41) RECQLGLAHPGDTSHRMAPK1
SCHEMBL3647313 0.95 RECQL (0.41) RECQLGLAHPGDTSHRMAPK1
SCHEMBL3649708 0.95 RECQL (0.41) RECQLGLAHPGDTSHRMAPK1
SCHEMBL3646368 0.95 RECQL (0.41) RECQLGLAHPGDTSHRMAPK1
SCHEMBL3649647 0.93 RECQL (0.40) RECQLGLAHPGDTSHRMAPK1
SCHEMBL187149 0.92 RECQL (0.46) RECQLGLAHPGDTSHRMAPK1
SCHEMBL3643738 0.91 RECQL (0.45) RECQLGLAHPGDTSHRMAPK1
SCHEMBL186616 0.91 RECQL (0.45) RECQLGLAHPGDTSHRMAPK1
SCHEMBL3642021 0.90 RECQL (0.42) RECQLGLAHPGDTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183220-A1 BIODEGRADABLE SOLVENTS FOR THE CHEMICAL INDUSTRY Dublin City University (IE) 2010-05-12 EP claimed
WO-2009024607-A1 BIODEGRADABLE SOLVENTS FOR THE CHEMICAL INDUSTRY DUBLIN CITY UNIVERSITY (IE) 2009-02-26 WO claimed
EP-2183220-A1 BIODEGRADABLE SOLVENTS FOR THE CHEMICAL INDUSTRY Dublin City University (IE) 2010-05-12 EP disclosed
WO-2009024607-A1 BIODEGRADABLE SOLVENTS FOR THE CHEMICAL INDUSTRY DUBLIN CITY UNIVERSITY (IE) 2009-02-26 WO disclosed