SCHEMBL30380586

SCHEMBL30380586

Cc1ccc(S(=O)(=O)OCCOCCOCCOCCOCCOCCOCCN(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.38
STAT3 P40763 2/20 0.36
PDK2 Q15119 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
NR1D1 P20393 1/20 0.34
KAT6A Q92794 1/20 0.34
KAT5 Q92993 1/20 0.34
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33
PSMD10 O75832 1/20 0.33

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
SCHEMBL21458774 1.00 F2 (0.38) F2STAT3PDK2CA12CA1
SCHEMBL20548054 1.00 F2 (0.38) F2STAT3PDK2CA12CA1
SCHEMBL30008141 1.00 F2 (0.38) F2STAT3PDK2CA12CA1
SCHEMBL30380581 1.00 F2 (0.38) F2STAT3PDK2CA12CA1
SCHEMBL30244578 1.00 F2 (0.38) F2STAT3PDK2CA12CA1
SCHEMBL25334266 1.00 F2 (0.38) F2STAT3PDK2CA12CA1
SCHEMBL21458406 1.00 F2 (0.38) F2STAT3PDK2CA12CA1
SCHEMBL1649505 0.93 F2 (0.40) F2STAT3PDK2CA12CA1
SCHEMBL19451333 0.89 F2 (0.39) F2STAT3CA12CA1CA9
SCHEMBL14707434 0.89 F2 (0.39) F2STAT3CA12CA1CA9

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
WO-2023059583-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2023-04-13 WO disclosed