SCHEMBL11601534

SCHEMBL11601534

CCCCSC(O)C(=O)OP(OC(=O)C(O)SCCCC)OC(=O)C(O)SCCCC

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.37
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
KDM4E B2RXH2 1/20 0.31
DUSP3 P51452 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
CES1 P23141 1/20 0.31
ATM Q13315 1/20 0.31
ZDHHC7 Q9NXF8 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL11601234 0.93 EPHX1 (0.46) EPHX1MAPTKDM4EDUSP3MEN1
SCHEMBL11598276 0.93 EPHX1 (0.46) EPHX1MAPTKDM4EDUSP3MEN1
SCHEMBL11601479 0.93 EPHX1 (0.46) EPHX1MAPTKDM4EDUSP3MEN1
SCHEMBL11599391 0.93 EPHX1 (0.46) EPHX1MAPTKDM4EDUSP3MEN1
SCHEMBL11599153 0.93 EPHX1 (0.46) EPHX1MAPTKDM4EDUSP3MEN1
SCHEMBL11598327 0.93 EPHX1 (0.46) EPHX1MAPTKDM4EDUSP3MEN1
SCHEMBL11599801 0.93 EPHX1 (0.46) EPHX1MAPTKDM4EDUSP3MEN1
SCHEMBL11601330 0.89 TDP1 (0.35) TDP1
SCHEMBL11599784 0.77
SCHEMBL21802633 0.74 EPHX1 (0.49) EPHX1MAPTKDM4EDUSP3MEN1

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-RE29523-E Olefinic polymers stabilized with thioacyl trivalent phosphorus compounds BORG-WARNER CORPORATION (US) 1978-01-24 US disclosed