SCHEMBL4881445

SCHEMBL4881445

CCCCC/C=C/C=C/C(=O)NCCO

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.64
CNR2 P34972 3/20 0.64
ALDH1A1 P00352 3/20 0.54
FAAH O00519 2/20 0.54
MEN1 O00255 2/20 0.54
BLM P54132 2/20 0.54
KMT2A Q03164 2/20 0.54
TRPV1 Q8NER1 2/20 0.54
TRPM8 Q7Z2W7 1/20 0.54
KCNK3 O14649 1/20 0.54
HPGD P15428 2/20 0.52
MAPT P10636 1/20 0.52
ALOX12 P18054 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL4881457 1.00 CNR1 (0.64) CNR1CNR2ALDH1A1FAAHMEN1
SCHEMBL7638596 0.98 CNR1 (0.67) CNR1CNR2ALDH1A1FAAHMEN1
SCHEMBL17091577 0.98 CNR1 (0.67) CNR1CNR2ALDH1A1FAAHMEN1
SCHEMBL15364951 0.97 CNR1 (0.65) CNR1CNR2ALDH1A1FAAHMEN1
SCHEMBL7211379 0.97 CNR1 (0.65) CNR1CNR2ALDH1A1FAAHMEN1
SCHEMBL886852 0.97 CNR1 (0.65) CNR1CNR2ALDH1A1FAAHMEN1
SCHEMBL886853 0.97 CNR1 (0.65) CNR1CNR2ALDH1A1FAAHMEN1
SCHEMBL5884581 0.97 CNR1 (0.65) CNR1CNR2ALDH1A1FAAHMEN1
SCHEMBL16400196 0.97 CNR1 (0.65) CNR1CNR2ALDH1A1FAAHMEN1
SCHEMBL6665064 0.97 CNR1 (0.65) CNR1CNR2ALDH1A1FAAHMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080038386-A1 Use of a liquid cooling sensate to provide a pungent, warming or tingling sensate composition MOZA ASHOK K 2008-02-14 US disclosed