SCHEMBL186616

SCHEMBL186616

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.45
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
EPHX2 P34913 1/20 0.45
BLM P54132 1/20 0.45
AKT1 P31749 1/20 0.33
IRS1 P35568 1/20 0.33
GAB1 Q13480 1/20 0.33
NR4A1 P22736 1/20 0.33
PKM P14618 1/20 0.32
CA1 P00915 8/20 0.31
CA2 P00918 8/20 0.31
CA9 Q16790 7/20 0.31
CA12 O43570 3/20 0.31
CA7 P43166 3/20 0.31
CA14 Q9ULX7 3/20 0.31
CA3 P07451 2/20 0.31
CA4 P22748 2/20 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
SCHEMBL187149 0.94 RECQL (0.46) RECQLGLAHPGDTSHRMAPK1
SCHEMBL3643738 0.94 RECQL (0.45) RECQLGLAHPGDTSHRMAPK1
SCHEMBL3642634 0.92 RECQL (0.41) RECQLGLAHPGDTSHRMAPK1
SCHEMBL3650294 0.91 RECQL (0.40) RECQLGLAHPGDTSHRMAPK1
SCHEMBL3642021 0.91 RECQL (0.42) RECQLGLAHPGDTSHRMAPK1
SCHEMBL3647313 0.90 RECQL (0.41) RECQLGLAHPGDTSHRMAPK1
SCHEMBL3650744 0.90 RECQL (0.41) RECQLGLAHPGDTSHRMAPK1
SCHEMBL3646368 0.90 RECQL (0.41) RECQLGLAHPGDTSHRMAPK1
SCHEMBL3649708 0.90 RECQL (0.41) RECQLGLAHPGDTSHRMAPK1
SCHEMBL3649403 0.88 RECQL (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401258-A1 IONIC LIQUID SOLVENTS Dublin City University (IE) 2012-01-04 EP disclosed
WO-2010097412-A1 IONIC LIQUID SOLVENTS DUBLIN CITY UNIVERSITY (IE) 2010-09-02 WO disclosed