SCHEMBL8569266

SCHEMBL8569266

CCCCCCCCCCCCCCC(C(=O)OCCCS(=O)(=O)O)S(=O)(=O)O.[NaH].[NaH]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.42
S1PR2 O95136 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
NAAA Q02083 1/20 0.38
EPHX2 P34913 1/20 0.38
ZDHHC7 Q9NXF8 1/20 0.37
MAPT P10636 1/20 0.37
TP53 P04637 1/20 0.37
EPHX1 P07099 1/20 0.36
TSHR P16473 2/20 0.35
MMP9 P14780 2/20 0.34
MMP13 P45452 2/20 0.34
ADAM17 P78536 2/20 0.34
MMP1 P03956 1/20 0.34
GPR84 Q9NQS5 3/20 0.34
DGKA P23743 1/20 0.34
FFAR1 O14842 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 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
SCHEMBL3863380 0.93 RECQL (0.43) RECQLS1PR2S1PR1S1PR3NAAA
SCHEMBL4927432 0.91 NAAA (0.46) RECQLNAAAZDHHC7MAPTTP53
SCHEMBL1483766 0.91 RECQL (0.46) RECQLNAAAZDHHC7MAPTTP53
SCHEMBL8028656 0.89 NAAA (0.47) RECQLNAAAZDHHC7MAPTTP53
SCHEMBL16642004 0.86 RECQL (0.47) RECQLNAAAZDHHC7MAPTTP53
SCHEMBL8569270 0.86 RECQL (0.38) RECQLS1PR2S1PR1S1PR3NAAA
SCHEMBL8831593 0.83 RECQL (0.44) RECQLZDHHC7MAPTTP53TSHR
SCHEMBL27428335 0.83 RECQL (0.44) RECQLZDHHC7MAPTTP53TSHR
SCHEMBL8831176 0.83 RECQL (0.44) RECQLZDHHC7MAPTTP53TSHR
SCHEMBL1483872 0.83 RECQL (0.47) RECQLZDHHC7MAPTTP53TSHR

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
WO-1998005749-A1 DETERGENT COMPOSITIONS CONTAINING DIANIONIC ESTERS THE PROCTER & GAMBLE COMPANY (US) 1998-02-12 WO disclosed
WO-1998005742-A1 LIQUID CLEANING COMPOSITIONS CONTAINING DIANIONIC ESTERS THE PROCTER & GAMBLE COMPANY (US) 1998-02-12 WO disclosed