SCHEMBL28567949

SCHEMBL28567949

CCCCCCCCOS(=O)(=O)[O-].CCCCC[n+]1ccn(C)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.54
GLA P06280 1/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
EPHX2 P34913 1/20 0.54
BLM P54132 1/20 0.54
CA1 P00915 7/20 0.37
CA2 P00918 7/20 0.37
CA9 Q16790 6/20 0.37
CA12 O43570 3/20 0.37
CA7 P43166 3/20 0.37
CA14 Q9ULX7 3/20 0.37
CA3 P07451 2/20 0.37
CA4 P22748 2/20 0.37
CA6 P23280 2/20 0.37
CA5A P35218 2/20 0.37
CA5B Q9Y2D0 2/20 0.37

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
SCHEMBL4410517 1.00 RECQL (0.54) RECQLGLAHPGDTSHRMAPK1
SCHEMBL4410563 1.00 RECQL (0.54) RECQLGLAHPGDTSHRMAPK1
SCHEMBL4409152 1.00 RECQL (0.54) RECQLGLAHPGDTSHRMAPK1
SCHEMBL4415795 1.00 RECQL (0.54) RECQLGLAHPGDTSHRMAPK1
SCHEMBL1980448 1.00 RECQL (0.54) RECQLGLAHPGDTSHRMAPK1
SCHEMBL4407297 1.00 RECQL (0.54) RECQLGLAHPGDTSHRMAPK1
SCHEMBL4420327 1.00 RECQL (0.54) RECQLGLAHPGDTSHRMAPK1
SCHEMBL4419590 1.00 RECQL (0.54) RECQLGLAHPGDTSHRMAPK1
SCHEMBL20287 0.97 RECQL (0.54) RECQLGLAHPGDTSHRMAPK1
SCHEMBL4411996 0.97 RECQL (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107801401-B Cleaning composition with ionic liquid 约翰逊父子公司 2021-06-04 CN disclosed