SCHEMBL22620633

SCHEMBL22620633

CC(C)/C=C/CCCCC(=O)CN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.42
FAAH O00519 5/20 0.40
CYP1A2 P05177 4/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C19 P33261 3/20 0.39
MEN1 O00255 2/20 0.39
TP53 P04637 2/20 0.39
KMT2A Q03164 2/20 0.39
SOAT1 P35610 2/20 0.39
ASAH2 Q9NR71 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP2C9 P11712 2/20 0.39
KDM1A O60341 1/20 0.39
NR1I2 O75469 1/20 0.39
ALOX5 P09917 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
SCHEMBL14331461 0.83 FAAH (0.44) TRPV1FAAHCYP1A2CYP3A4CYP2C19
SCHEMBL16244201 0.82 CYP1A2 (0.57) TRPV1FAAHCYP1A2CYP3A4CYP2C19
SCHEMBL4903668 0.82 CYP1A2 (0.57) TRPV1FAAHCYP1A2CYP3A4CYP2C19
SCHEMBL9881033 0.79 TRPV1 (0.44) TRPV1FAAHCYP1A2CYP3A4CYP2C19
SCHEMBL2208066 0.79 PPARG (0.57) FAAHCYP1A2CYP2C19KMT2AALDH1A1
SCHEMBL3338606 0.79 PPARG (0.57) FAAHCYP1A2CYP2C19KMT2AALDH1A1
SCHEMBL2208064 0.79 PPARG (0.57) FAAHCYP1A2CYP2C19KMT2AALDH1A1
SCHEMBL3436995 0.77 TRPV1 (0.43) TRPV1FAAHCYP1A2CYP3A4CYP2C19
SCHEMBL22555583 0.77 PPARG (0.60) FAAHCYP1A2CYP3A4CYP2C19MEN1
SCHEMBL2208737 0.77 PPARG (0.60) FAAHCYP1A2CYP3A4CYP2C19MEN1

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
EP-3732994-A1 REDUCED SODIUM FOOD PRODUCTS GENERAL MILLS, INC. (US) 2020-11-04 EP disclosed