SCHEMBL12393908

SCHEMBL12393908

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.35
▸ MAPT P10636 2/20 0.35
▸ PTGS1 P23219 2/20 0.34
▸ CNR1 P21554 4/20 0.33
▸ FAAH O00519 2/20 0.33
▸ PPARA Q07869 2/20 0.33
▸ CYP19A1 P11511 2/20 0.33
▸ RXRA P19793 2/20 0.33
▸ PPARG P37231 2/20 0.33
▸ OXER1 Q8TDS5 2/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ CNR2 P34972 2/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ EPHX2 P34913 2/20 0.31
▸ ADORA3 P0DMS8 2/20 0.31
▸ NR1I2 O75469 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ PDE4D Q08499 1/20 0.31

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
SCHEMBL12393904 0.87 ALDH1A1 (0.36) ALDH1A1MAPTPTGS1CNR1FAAH
SCHEMBL12393895 0.79 PTGS1 (0.40) ALDH1A1MAPTPTGS1CNR1FAAH
SCHEMBL12393899 0.76 NR1I2 (0.45) ALDH1A1MAPTPTGS1CNR1FAAH
SCHEMBL12393932 0.75 CHRNB2 (0.39) ALDH1A1MAPTPTGS1HRH4HRH3
SCHEMBL12393919 0.73 PTGS1 (0.36) ALDH1A1MAPTPTGS1CNR1FAAH
SCHEMBL12393900 0.73 HRH4 (0.46) ALDH1A1PTGS1HRH4HRH3EPHX2
SCHEMBL5638554 0.73 SMN1; SMN2 (0.44) ALDH1A1MAPTEPHX2KMT2ACTSK
SCHEMBL12393921 0.72 PTGS1 (0.35) ALDH1A1MAPTPTGS1CNR1FAAH
SCHEMBL3953707 0.71 ALDH1A1 (0.41) ALDH1A1MAPTPTGS1CNR1FAAH
SCHEMBL3951557 0.71 ALDH1A1 (0.41) ALDH1A1MAPTPTGS1CNR1FAAH

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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