SCHEMBL12393899

SCHEMBL12393899

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 1/20 0.45
▸ PGR P06401 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ HRH4 Q9H3N8 2/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.39
▸ PTGS1 P23219 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CNR1 P21554 2/20 0.37
▸ FAAH O00519 1/20 0.37
▸ FFAR1 O14842 1/20 0.36

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
SCHEMBL12393900 0.86 HRH4 (0.46) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL12393930 0.85 HRH4 (0.46) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL12393895 0.85 PTGS1 (0.40) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL12393903 0.83 HRH4 (0.50) HRH4HRH3
SCHEMBL12393928 0.83 HRH4 (0.44) HRH4HRH3PTGS1CNR1
SCHEMBL12393927 0.83 HRH4 (0.41) ALDH1A1HRH4HRH3CNR1
SCHEMBL12393920 0.83 PTGS1 (0.37) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL12393905 0.83 CNR1 (0.38) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL12393923 0.82 HRH4 (0.41) NR1I2PGRADORA3PTGS2PDE4D
SCHEMBL12393924 0.82 CYP3A4 (0.38) NR1I2PGRADORA3PTGS2PDE4D

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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