SCHEMBL4450854

SCHEMBL4450854

CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.47
KCNH2 Q12809 6/20 0.35
CES1 P23141 4/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
MMP8 P22894 2/20 0.33
MMP13 P45452 2/20 0.33
EPHX1 P07099 1/20 0.33
RECQL P46063 2/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
EPHX2 P34913 1/20 0.32
BLM P54132 1/20 0.32
FAAH O00519 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
SCHEMBL358624 0.98 DNM1 (0.44) DNM1KCNH2CES1CA1CA2
SCHEMBL21986624 0.97 DNM1 (0.42) DNM1KCNH2CES1CA1CA2
SCHEMBL21986603 0.97 DNM1 (0.42) DNM1KCNH2CES1CA1CA2
SCHEMBL123514 0.95 DNM1 (0.38) DNM1KCNH2CES1CA1CA2
SCHEMBL23088858 0.85 CA2 (0.33) DNM1CA1CA2MMP1MMP2
SCHEMBL21986582 0.85 CA2 (0.33) DNM1CA1CA2MMP1MMP2
Trifluoromethanesulfonic Acid SCHEMBL3770724 0.83 DNM1 (0.58) DNM1KCNH2CES1CA2EPHX1
Trifluoromethanesulfonic Acid SCHEMBL3645807 0.83 DNM1 (0.58) DNM1KCNH2CES1CA2EPHX1
Trifluoromethanesulfonic Acid SCHEMBL514369 0.83 DNM1 (0.58) DNM1KCNH2CES1CA2EPHX1
Trifluoromethanesulfonic Acid SCHEMBL3780709 0.83 DNM1 (0.58) DNM1KCNH2CES1CA2EPHX1

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-20090043017-A1 FLAME RETARDANT POLYTRIMETHYLENE TEREPHTHALATE COMPOSITION E. I. DU PONT DE NEMOURS AND COMPANY 2009-02-12 US disclosed