SCHEMBL7051766

SCHEMBL7051766

CCCCCCC1=CCCC1CC=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 2/20 0.39
GPR84 Q9NQS5 1/20 0.34
TSHR P16473 2/20 0.33
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
SPHK1 Q9NYA1 4/20 0.31
FAAH O00519 2/20 0.31
TRPV1 Q8NER1 1/20 0.31
TBXA2R P21731 1/20 0.30
ALDH1A1 P00352 1/20 0.30
THRA P10827 1/20 0.30
THRB P10828 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
SCHEMBL7054405 0.80 PTGER2 (0.43) PTGER2TSHRTBXA2RTHRATHRB
SCHEMBL7156105 0.80 PTGER2 (0.38) PTGER2SPHK1TBXA2R
SCHEMBL7100309 0.78 PTGER2 (0.46) PTGER2TBXA2RALDH1A1
SCHEMBL7101676 0.78 PTGER2 (0.46) PTGER2TBXA2RALDH1A1
SCHEMBL27705699 0.78 PTGER2 (0.40) PTGER2GPR84HIF1AEPAS1ADH1C
SCHEMBL7987075 0.77 PTGER2 (0.51) PTGER2TBXA2RALDH1A1THRATHRB
SCHEMBL29168789 0.76 PTGER2 (0.39) PTGER2GPR84HIF1AEPAS1ADH1C
SCHEMBL7943227 0.75 PTGER2 (0.49) PTGER2TBXA2RALDH1A1THRATHRB
SCHEMBL9700345 0.74 PTGER2 (0.39) PTGER2TSHRTBXA2RALDH1A1
SCHEMBL7051706 0.73 PTGER2 (0.40) PTGER2HIF1AEPAS1ADH1CADH1A

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