SCHEMBL7051706

SCHEMBL7051706

CCCCCCC1=CCCC1C(C)C=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 2/20 0.40
HIF1A Q16665 1/20 0.32
EPAS1 Q99814 1/20 0.32
SPHK1 Q9NYA1 3/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
S1PR4 O95977 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
S1PR5 Q9H228 1/20 0.30

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
SCHEMBL27705699 0.75 PTGER2 (0.40) PTGER2HIF1AEPAS1SPHK1ADH1C
SCHEMBL29168789 0.73 PTGER2 (0.39) PTGER2HIF1AEPAS1SPHK1ADH1C
SCHEMBL7051766 0.73 PTGER2 (0.39) PTGER2HIF1AEPAS1SPHK1THRA
SCHEMBL23952462 0.72 PTGER2 (0.35) PTGER2
SCHEMBL7112580 0.69 PTGER2 (0.42) PTGER2HIF1ASPHK1
SCHEMBL7054405 0.69 PTGER2 (0.43) PTGER2THRATHRBS1PR4S1PR1
SCHEMBL27825519 0.68 PTGER2 (0.34) PTGER2ADH1CADH1AADH4
SCHEMBL2301552 0.67 PTGER2 (0.40) PTGER2HIF1ASPHK1
SCHEMBL7156105 0.67 PTGER2 (0.38) PTGER2SPHK1
SCHEMBL23270236 0.67 PTGER2 (0.40) PTGER2HIF1ASPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1129060-B1 CARBONYL COMPOUNDS AND THEIR USE AS FRAGRANCES COGNIS DEUTSCHLAND GMBH (DE) 2003-05-07 EP claimed
EP-1129060-A1 CARBONYL COMPOUNDS AND THEIR USE AS FRAGRANCES Cognis Deutschland GmbH (DE) 2001-09-05 EP claimed
WO-2000027784-A1 CARBONYL COMPOUNDS AND THEIR USE AS FRAGRANCES COGNIS DEUTSCHLAND GMBH (DE) 2000-05-18 WO claimed
US-6632787-B1 Reacting alkyl cyclopentenol and vinyl ether; new odor profiles; high staying power, intensity and emanative power COGNIS DEUTSCHLAND GMBH & CO. KG (DE) 2003-10-14 US disclosed
EP-1129060-B1 CARBONYL COMPOUNDS AND THEIR USE AS FRAGRANCES COGNIS DEUTSCHLAND GMBH (DE) 2003-05-07 EP disclosed
EP-1129060-A1 CARBONYL COMPOUNDS AND THEIR USE AS FRAGRANCES Cognis Deutschland GmbH (DE) 2001-09-05 EP disclosed
WO-2000027784-A1 CARBONYL COMPOUNDS AND THEIR USE AS FRAGRANCES COGNIS DEUTSCHLAND GMBH (DE) 2000-05-18 WO disclosed