SCHEMBL6941510

SCHEMBL6941510

CC=CCCC=CC=CC(=O)CCC

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
PPARA Q07869 3/20 0.49
PPARG P37231 2/20 0.49
PPARD Q03181 2/20 0.49
ALOX12 P18054 3/20 0.44
OXER1 Q8TDS5 3/20 0.44
TRPA1 O75762 1/20 0.41
CNR2 P34972 6/20 0.41
CNR1 P21554 4/20 0.41
ALOX5 P09917 1/20 0.41
FASN P49327 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL6941507 1.00 KDM4E (0.51) KDM4EPPARAPPARGPPARDALOX12
SCHEMBL4544178 0.85 PPARG (0.47) KDM4EPPARAPPARGPPARDTRPA1
SCHEMBL4544180 0.85 PPARG (0.47) KDM4EPPARAPPARGPPARDTRPA1
SCHEMBL29116444 0.82 KDM4E (0.73) KDM4EPPARAPPARGALOX12OXER1
SCHEMBL3004060 0.81 TRPA1 (0.45) KDM4EALOX12OXER1TRPA1CNR2
SCHEMBL3007779 0.81 TRPA1 (0.45) KDM4EALOX12OXER1TRPA1CNR2
SCHEMBL3004063 0.81 TRPA1 (0.45) KDM4EALOX12OXER1TRPA1CNR2
SCHEMBL1532486 0.79 PPARA (0.55) KDM4EPPARAPPARGPPARDTRPA1
SCHEMBL1532484 0.79 PPARA (0.55) KDM4EPPARAPPARGPPARDTRPA1
SCHEMBL14764162 0.77 PPARA (0.58) KDM4EPPARAPPARGPPARDTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1305392-A1 CLEANING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2003-05-02 EP disclosed
WO-2002006437-A1 CLEANING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2002-01-24 WO disclosed
EP-0062291-B1 PROCESS FOR THE PREPARATION OF POLY-UNSATURATED KETONES BASF Aktiengesellschaft (DE) 1984-03-28 EP disclosed