SCHEMBL4539275

SCHEMBL4539275

CCCCCCCCC=CCC=CCC=CCCCC(=O)NCCO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.97
CNR2 P34972 4/20 0.97
ALDH1A1 P00352 3/20 0.97
MEN1 O00255 2/20 0.97
BLM P54132 2/20 0.97
KMT2A Q03164 2/20 0.97
TRPV1 Q8NER1 2/20 0.97
TRPM8 Q7Z2W7 1/20 0.97
FAAH O00519 1/20 0.97
KCNK3 O14649 1/20 0.97
HPGD P15428 2/20 0.94
MAPT P10636 1/20 0.94
ALOX12 P18054 1/20 0.94
TDP1 Q9NUW8 1/20 0.94

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
SCHEMBL29512269 1.00 CNR1 (0.97) CNR1CNR2ALDH1A1MEN1BLM
SCHEMBL15364953 1.00 CNR1 (0.97) CNR1CNR2ALDH1A1MEN1BLM
SCHEMBL14864037 1.00 CNR1 (0.97) CNR1CNR2ALDH1A1MEN1BLM
SCHEMBL14700549 1.00 CNR1 (0.97) CNR1CNR2ALDH1A1MEN1BLM
Anandamide SCHEMBL13100719 0.98 CNR1 (1.00) CNR1CNR2ALDH1A1MEN1BLM
Anandamide SCHEMBL7140616 0.98 CNR1 (1.00) CNR1CNR2ALDH1A1MEN1BLM
Anandamide SCHEMBL4109856 0.98 CNR1 (1.00) CNR1CNR2ALDH1A1MEN1BLM
Anandamide SCHEMBL43144 0.98 CNR1 (1.00) CNR1CNR2ALDH1A1MEN1BLM
Anandamide SCHEMBL43143 0.98 CNR1 (1.00) CNR1CNR2ALDH1A1MEN1BLM
SCHEMBL14106447 0.97 CNR1 (1.00) CNR1CNR2ALDH1A1MEN1BLM

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
US-7199082-B1 Composition of an N-acylethanolamine plant hormone of an auxin, a gibberellin or a cytokinin; and a horticulturally-acceptable vehicle; treating and storing cut flowers, Christmas trees, fruits, and other severed plant parts UNIVERSITY OF NORTH TEXAS (US) 2007-04-03 US claimed
EP-1263286-B1 METHODS FOR EXTENDING THE FRESHNESS OF CUT FLOWERS UNIV NORTH TEXAS (US) 2006-02-22 EP claimed
EP-2674161-A1 FMO3 inhibitors for treating pain Akron Molecules GmbH (AT) 2013-12-18 EP disclosed
EP-2637649-A2 COMPOUNDS AND METHODS FOR TREATING PAIN Akron Molecules GmbH (AT) 2013-09-18 EP disclosed
WO-2012062925-A2 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES GMBH (AT) 2012-05-18 WO disclosed
US-7199082-B1 Composition of an N-acylethanolamine plant hormone of an auxin, a gibberellin or a cytokinin; and a horticulturally-acceptable vehicle; treating and storing cut flowers, Christmas trees, fruits, and other severed plant parts UNIVERSITY OF NORTH TEXAS (US) 2007-04-03 US disclosed