SCHEMBL13638342

SCHEMBL13638342

CCC(CC)Oc1ccc(-c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C(C)(C)Oc5ccc(-c6ccc(O)cc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.41
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
HSD11B1 P28845 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MMP2 P08253 4/20 0.34
MMP9 P14780 4/20 0.34
MMP3 P08254 3/20 0.34
MMP8 P22894 3/20 0.34
MMP14 P50281 3/20 0.34
MMP7 P09237 1/20 0.34
LTA4H P09960 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
CTRC Q99895 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32

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
SCHEMBL12910107 0.82 GAA (0.43) ELANEGAAPKMKDM4EMEN1
SCHEMBL16418026 0.81 ELANE (0.51) ELANEGAAPKMHSD11B1KDM4E
SCHEMBL25529698 0.81 ELANE (0.44) ELANEGAAPKMHSD11B1KDM4E
SCHEMBL20169354 0.80 ELANE (0.50) ELANEGAAPKMHSD11B1KDM4E
SCHEMBL12911333 0.80 PTPN5 (0.41) ELANEGAAPKMHSD11B1KDM4E
SCHEMBL13918653 0.78 ELANE (0.50) ELANEGAAPKMHSD11B1MEN1
SCHEMBL14549124 0.77 ELANE (0.55) ELANEGAAPKMHSD11B1MEN1
SCHEMBL26416012 0.77 ELANE (0.55) ELANEGAAPKMHSD11B1MEN1
SCHEMBL12531553 0.77 ELANE (0.55) ELANEGAAPKMHSD11B1MEN1
SCHEMBL18435500 0.77 ELANE (0.55) ELANEGAAPKMHSD11B1MEN1

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
US-20090281270-A1 SULFONATED-POLYPERFLUORO-CYCLOBUTANE-POLYPHENLENE POLYMERS FOR PEM FUEL CELL APPLICATIONS GM GLOBAL TECHNOLOGY OPERATIONS, INC. (US) 2009-11-12 US disclosed