SCHEMBL680754

SCHEMBL680754

C=CCOC(=O)c1ccc(O)c(OC)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.68
KDM4E B2RXH2 2/20 0.65
POLB P06746 1/20 0.65
HDAC6 Q9UBN7 1/20 0.65
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
SLC22A6 Q4U2R8 1/20 0.57
SLC22A8 Q8TCC7 1/20 0.57
RAB9A P51151 1/20 0.57
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 2/20 0.51
ALOX5 P09917 2/20 0.51
CYP3A4 P08684 1/20 0.51
AR P10275 1/20 0.51
PTGS1 P23219 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.51
CYP1A2 P05177 1/20 0.51
HSP90AA1 P07900 1/20 0.51
HSP90AB1 P08238 1/20 0.51

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
SCHEMBL1353426 0.88 HSD17B2 (0.72) HSD17B2KDM4EPOLBHDAC6MEN1
SCHEMBL6430392 0.88 MAPT (0.63) HSD17B2KDM4EPOLBHDAC6MEN1
SCHEMBL1353423 0.88 HSD17B2 (0.72) HSD17B2KDM4EPOLBHDAC6MEN1
SCHEMBL680755 0.87 KDM4E (0.71) HSD17B2KDM4EPOLBHDAC6MEN1
SCHEMBL31737297 0.87 KDM4E (0.71) HSD17B2KDM4EPOLBHDAC6MEN1
SCHEMBL2523828 0.84 KDM4E (0.49) HSD17B2KDM4EPOLBHDAC6SMN1; SMN2
SCHEMBL15956638 0.84 HTR4 (0.50) HSD17B2KDM4EPOLBHDAC6MEN1
SCHEMBL13337302 0.84 PTGS2 (0.54) HSD17B2KDM4EPOLBKMT2AALDH1A1
SCHEMBL27468810 0.83 PKM (0.57) HSD17B2KDM4EPOLBHDAC6KMT2A
SCHEMBL2972468 0.83 CA12 (0.62) HSD17B2KDM4EPOLBALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288360-A1 COMPOSITIONS FOR NEUTRALIZATION AND DECONTAMINATION OF TOXIC CHEMICAL AND BIOLOGICAL AGENTS SUNREZ CORPORATION (US) 2011-11-24 US claimed
WO-2009023731-A1 COMPOSITIONS FOR NEUTRALIZATION AND DECONTAMINATION OF TOXIC CHEMICAL AND BIOLOGICAL AGENTS SUNREZ CORPORATION (US) 2009-02-19 WO claimed
EP-3164447-B1 ESTER-FUNCTIONAL POLYSILOXANES AND COPOLYMERS MADE THEREFROM MOMENTIVE PERFORMANCE MAT INC (US) 2019-10-09 EP disclosed
US-9957357-B2 Ester-functional polysiloxanes and copolymers made therefrom MOMENTIVE PERFORMANCE MATERIALS, INC. (US) 2018-05-01 US disclosed
EP-3164447-A1 ESTER-FUNCTIONAL POLYSILOXANES AND COPOLYMERS MADE THEREFROM Momentive Performance Materials Inc. (US) 2017-05-10 EP disclosed
US-20170066885-A1 ESTER-FUNCTIONAL POLYSILOXANES AND COPOLYMERS MADE THEREFROM MOMENTIVE PERFORMANCE MATERIALS INC. 2017-03-09 US disclosed
US-9518182-B2 Ester-functional polysiloxanes and copolymers made therefrom MOMENTIVE PERFORMANCE MATERIALS, INC. (US) 2016-12-13 US disclosed
WO-2016004286-A1 ESTER-FUNCTIONAL POLYSILOXANES AND COPOLYMERS MADE THEREFROM MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2016-01-07 WO disclosed
US-20160002410-A1 ESTER-FUNCTIONAL POLYSILOXANES AND COPOLYMERS MADE THEREFROM MOMENTIVE PERFORMANCE MATERIALS INC. 2016-01-07 US disclosed
US-20110288360-A1 COMPOSITIONS FOR NEUTRALIZATION AND DECONTAMINATION OF TOXIC CHEMICAL AND BIOLOGICAL AGENTS SUNREZ CORPORATION (US) 2011-11-24 US disclosed
WO-2009079408-A1 BIOLOGICALLY ACTIVE POLYMERIC COMPOUNDS, THEIR METHODS OF PRODUCTION AND USES THEREOF SUNREZ CORPORATION (US) 2009-06-25 WO disclosed
WO-2009023731-A1 COMPOSITIONS FOR NEUTRALIZATION AND DECONTAMINATION OF TOXIC CHEMICAL AND BIOLOGICAL AGENTS SUNREZ CORPORATION (US) 2009-02-19 WO disclosed
US-5468897-A Bi-aromatic esters, a process for their preparation and their use in human or veterinary medicine and in cosmetic compositions CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1995-11-21 US disclosed
US-5332856-A Treatment of a dermatologic, rheumatismal, respiratory or ophthalmologic ailment CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1994-07-26 US disclosed
US-5200550-A Administering for dermatologic, rheumatismal, respiratory or ophthalomologic disorders CENTRE INTERNATIONAL DE RECHERCES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1993-04-06 US disclosed
US-4362510-A ESTER OF VANILLIC ACID, METAL OXIDE OR HYDROXIDE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1982-12-07 US disclosed