SCHEMBL4801711

SCHEMBL4801711

CCCCCC=CCCCCCCC1OCCO1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
ENPP2 Q13822 10/20 0.49
LPAR2 Q9HBW0 7/20 0.49
EPHX1 P07099 1/20 0.47
FAAH O00519 2/20 0.45
TRPV1 Q8NER1 1/20 0.45
GMNN O75496 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
APEX1 P27695 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL4801706 1.00 ALDH1A1 (0.50) ALDH1A1ENPP2LPAR2EPHX1FAAH
SCHEMBL4804211 1.00 ALDH1A1 (0.50) ALDH1A1ENPP2LPAR2EPHX1FAAH
SCHEMBL9807194 1.00 ALDH1A1 (0.50) ALDH1A1ENPP2LPAR2EPHX1FAAH
SCHEMBL9807187 1.00 ALDH1A1 (0.50) ALDH1A1ENPP2LPAR2EPHX1FAAH
Hexane SCHEMBL3352147 0.92 ENPP2 (0.44) ALDH1A1ENPP2LPAR2EPHX1FAAH
Hexane SCHEMBL3352152 0.92 ENPP2 (0.44) ALDH1A1ENPP2LPAR2EPHX1FAAH
SCHEMBL19783686 0.89 ALDH1A1 (0.41) ALDH1A1ENPP2LPAR2LMNAMAPT
SCHEMBL1668988 0.88 ALDH1A1 (0.62) ALDH1A1ENPP2LPAR2EPHX1CYP1A2
SCHEMBL15560286 0.88 ALDH1A1 (0.62) ALDH1A1ENPP2LPAR2EPHX1CYP1A2
SCHEMBL16995925 0.88 ALDH1A1 (0.62) ALDH1A1ENPP2LPAR2EPHX1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332468-B2 8-tetradecenal as fragrance and flavoring substance SYMRISE GMBH & CO. KG (DE) 2008-02-19 US disclosed
EP-1409621-B1 8-TETRADECENAL SERVING AS AN ODOROUS OR AROMATIC SUBSTANCE SYMRISE GMBH & CO KG (DE) 2005-11-30 EP disclosed
US-20040197358-A1 8-tetradecenal serving as an odorous or aromatic substance SYMRISE AG (DE) 2004-10-07 US disclosed
EP-1409621-A1 8-TETRADECENAL SERVING AS AN ODOROUS OR AROMATIC SUBSTANCE Symrise GmbH & Co. KG (DE) 2004-04-21 EP disclosed
WO-2003006591-A1 8-TETRADECENAL SERVING AS AN ODOROUS OR AROMATIC SUBSTANCE SYMRISE GMBH & CO. KG (DE) 2003-01-23 WO disclosed