SCHEMBL12393930

SCHEMBL12393930

CC/C=C\CC/C=C/CNC(=O)OCCOCC

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.46
▸ HRH3 Q9Y5N1 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ ACHE P22303 4/20 0.39
▸ THRB P10828 1/20 0.38
▸ PTGS1 P23219 1/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ PGR P06401 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ EPHX2 P34913 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL12393928 0.86 HRH4 (0.44) HRH4HRH3ACHEPTGS1EPHX2
SCHEMBL12393900 0.85 HRH4 (0.46) HRH4HRH3ALDH1A1ACHEPTGS1
SCHEMBL12393899 0.85 NR1I2 (0.45) HRH4HRH3ALDH1A1TSHRPTGS1
SCHEMBL12393903 0.83 HRH4 (0.50) HRH4HRH3ACHEEPHX2
SCHEMBL12393927 0.83 HRH4 (0.41) HRH4HRH3ALDH1A1ACHEEPHX2
SCHEMBL12393923 0.81 HRH4 (0.41) HRH4HRH3ACHEPTGS1NR1I2
SCHEMBL12393939 0.79 HRH4 (0.39) HRH4HRH3ALDH1A1ACHEPTGS1
SCHEMBL12393895 0.78 PTGS1 (0.40) HRH4HRH3ALDH1A1PTGS1NR1I2
SCHEMBL12393935 0.77 HRH4 (0.38) HRH4HRH3ALDH1A1ACHEPTGS1
SCHEMBL12393932 0.77 CHRNB2 (0.39) HRH4HRH3ALDH1A1ACHEPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1803357-B1 Unsaturated cyclic and acyclic carbamates exhibiting taste and flavor enhancement effect in flavor compositions INT FLAVORS & FRAGRANCES INC (US) 2015-08-19 — — EP disclosed
US-8007849-B2 Unsaturated cyclic and acyclic carbamates exhibiting taste and flavor enhancement effect in flavor compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2011-08-30 — — US disclosed
US-8007849-B2 Unsaturated cyclic and acyclic carbamates exhibiting taste and flavor enhancement effect in flavor compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2011-08-30 — — US disclosed
EP-1803357-A1 Unsaturated cyclic and acyclic carbamates exhibiting taste and flavor enhancement effect in flavor compositions INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 2007-07-04 — — EP disclosed
US-20070134389-A1 Unsaturated cyclic and acyclic carbamates exhibiting taste and flavor enhancement effect in flavor compositions PEI TAO 2007-06-14 — — US disclosed
US-20070134389-A1 Unsaturated cyclic and acyclic carbamates exhibiting taste and flavor enhancement effect in flavor compositions PEI TAO 2007-06-14 — — US disclosed
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