SCHEMBL6679674

SCHEMBL6679674

CCCCCc1ccc(/N=N/c2ccc(O)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.75
PTGS2 P35354 4/20 0.75
ESR1 P03372 2/20 0.75
ADRA2A P08913 2/20 0.75
ADORA3 P0DMS8 2/20 0.75
TACR2 P21452 2/20 0.75
SLC6A2 P23975 2/20 0.75
SLC6A4 P31645 2/20 0.75
SLC6A3 Q01959 2/20 0.75
ALDH1A1 P00352 2/20 0.75
KDM4E B2RXH2 1/20 0.75
LMNA P02545 1/20 0.75
SHBG P04278 1/20 0.75
TP53 P04637 1/20 0.75
HSPD1 P10809 1/20 0.75
ADRB3 P13945 1/20 0.75
HTR2C P28335 1/20 0.75
HSPE1 P61604 1/20 0.75
HIF1A Q16665 1/20 0.75
TST Q16762 1/20 0.75

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
SCHEMBL6679677 1.00 CYP3A4 (0.75) CYP3A4PTGS2ESR1ADRA2AADORA3
SCHEMBL9687980 0.98 PTGS2 (0.79) CYP3A4PTGS2ESR1ADRA2AADORA3
SCHEMBL9689372 0.98 PTGS2 (0.79) CYP3A4PTGS2ESR1ADRA2AADORA3
SCHEMBL9473495 0.98 PTGS2 (0.79) CYP3A4PTGS2ESR1ADRA2AADORA3
SCHEMBL1584415 0.98 PTGS2 (0.79) CYP3A4PTGS2ESR1ADRA2AADORA3
SCHEMBL28880951 0.98 PTGS2 (0.79) CYP3A4PTGS2ESR1ADRA2AADORA3
SCHEMBL9473502 0.98 PTGS2 (0.79) CYP3A4PTGS2ESR1ADRA2AADORA3
SCHEMBL13417483 0.98 PTGS2 (0.79) CYP3A4PTGS2ESR1ADRA2AADORA3
SCHEMBL9689370 0.98 PTGS2 (0.79) CYP3A4PTGS2ESR1ADRA2AADORA3
SCHEMBL9687601 0.98 PTGS2 (0.79) CYP3A4PTGS2ESR1ADRA2AADORA3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170225452-A1 TUNABLE SURFACTANTS IN DAMPENING FLUIDS FOR DIGITAL OFFSET INK PRINTING APPLICATIONS Genesee Valley Innovations, LLC 2017-08-10 US disclosed
US-9713828-B2 Tunable surfactants in dampening fluids for digital offset ink printing applications XEROX CORPORATION (US) 2017-07-25 US disclosed
US-20150040939-A1 TUNABLE SURFACTANTS IN DAMPENING FLUIDS FOR DIGITAL OFFSET INK PRINTING APPLICATIONS Genesee Valley Innovations, LLC 2015-02-12 US disclosed
WO-2004048499-A2 COMBINED ROD-DISC CRYSTALLINE SYSTEMS WITH NEMATIC PROPERTIES THE UNIVERSITY OF HULL (GB) 2004-06-10 WO disclosed