SCHEMBL161719

SCHEMBL161719

CNCCOC.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.35
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
PTPN1 P18031 1/20 0.31
PTPN11 Q06124 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
Trifluoromethanesulfonic Acid SCHEMBL28137342 0.82 ALDH1A1 (0.33) EPHX1KDM4ENPC1ALDH1A1LMNA
SCHEMBL29655754 0.78 CA2 (0.33) EPHX1CA1CA2PTPN1PTPN11
SCHEMBL11342423 0.78 EPHX1 (0.52) EPHX1KDM4ENPC1ALDH1A1LMNA
SCHEMBL29419478 0.77 EPHX1 (0.41) EPHX1SMN1; SMN2CA1CA2PTPN1
SCHEMBL40164 0.73
SCHEMBL28330336 0.72 HTR1D (0.32) KDM4ENPC1ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL3856800 0.71
Ammonia Solution, Strong SCHEMBL16619845 0.71
Hydrochloric Acid SCHEMBL3231144 0.71
SCHEMBL29868899 0.71

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-2012030415-A1 ULTRACAPACITOR WITH A NOVEL CARBON BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-03-08 WO disclosed