SCHEMBL29639616

SCHEMBL29639616

CCCCCCCCCCCCC(=O)C=CC=CC(N)=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.63
KDM4E B2RXH2 3/20 0.58
POLB P06746 1/20 0.51
POLA1 P09884 1/20 0.51
PPARG P37231 2/20 0.50
PPARA Q07869 2/20 0.50
ALOX12 P18054 2/20 0.50
FAAH O00519 3/20 0.48
SOAT1 P35610 2/20 0.48
MEN1 O00255 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
OXER1 Q8TDS5 1/20 0.46
CES2 O00748 3/20 0.45
CES1 P23141 3/20 0.45
APP P05067 1/20 0.44
HSP90AA1 P07900 1/20 0.44

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
SCHEMBL29639615 0.98 TRPA1 (0.61) TRPA1KDM4EPOLBPOLA1PPARG
SCHEMBL29639618 0.88 POLB (0.59) TRPA1KDM4EPOLBPOLA1PPARG
SCHEMBL29286043 0.82 TRPA1 (0.66) TRPA1KDM4EPOLBPOLA1PPARG
SCHEMBL370066 0.82 TRPA1 (0.66) TRPA1KDM4EPOLBPOLA1PPARG
SCHEMBL370068 0.82 TRPA1 (0.66) TRPA1KDM4EPOLBPOLA1PPARG
SCHEMBL11129864 0.82 FAAH (0.64) TRPA1KDM4EPOLBPOLA1PPARG
SCHEMBL11129860 0.82 FAAH (0.64) TRPA1KDM4EPOLBPOLA1PPARG
SCHEMBL30705405 0.81 POLB (0.70) TRPA1POLBPOLA1PPARGPPARA
SCHEMBL10808210 0.81 POLB (0.70) TRPA1POLBPOLA1PPARGPPARA
SCHEMBL30705404 0.81 POLB (0.70) TRPA1POLBPOLA1PPARGPPARA

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