SCHEMBL29639618

SCHEMBL29639618

CCCCCCCCCCCCCCC(=O)C=CC(N)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
POLA1 P09884 1/20 0.59
TRPA1 O75762 1/20 0.57
PPARG P37231 3/20 0.53
PPARA Q07869 3/20 0.53
FAAH O00519 3/20 0.52
SOAT1 P35610 2/20 0.52
MEN1 O00255 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
SPHK2 Q9NRA0 1/20 0.50
SPHK1 Q9NYA1 1/20 0.50
KDM4E B2RXH2 3/20 0.49
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
HSP90AA1 P07900 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL5023396 0.91 TRPA1 (0.50) POLBPOLA1TRPA1PPARGPPARA
SCHEMBL5023403 0.91 TRPA1 (0.50) POLBPOLA1TRPA1PPARGPPARA
SCHEMBL11129860 0.89 FAAH (0.64) POLBPOLA1TRPA1PPARGPPARA
SCHEMBL11129864 0.89 FAAH (0.64) POLBPOLA1TRPA1PPARGPPARA
SCHEMBL30705405 0.89 POLB (0.70) POLBPOLA1TRPA1PPARGPPARA
SCHEMBL10808210 0.89 POLB (0.70) POLBPOLA1TRPA1PPARGPPARA
SCHEMBL30705404 0.89 POLB (0.70) POLBPOLA1TRPA1PPARGPPARA
SCHEMBL10808215 0.89 POLB (0.70) POLBPOLA1TRPA1PPARGPPARA
SCHEMBL29639616 0.88 TRPA1 (0.63) POLBPOLA1TRPA1PPARGPPARA
SCHEMBL29639615 0.86 TRPA1 (0.61) POLBPOLA1TRPA1PPARGPPARA

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-20220202052-A1 AROMATIC ALKAMIDES AND METHODS OF USE THEREOF IN TASTE MODULATION INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2022-06-30 US disclosed