SCHEMBL21549962

SCHEMBL21549962

CC(=O)C(C)CCC(C)[N+](=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.32
CYP1A2 P05177 1/20 0.32
CPA1 P15085 1/20 0.31

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
SCHEMBL13410354 0.78 GABRR1 (0.46) GABRR1CYP1A2
SCHEMBL997615 0.76 ALDH1A1 (0.39) CPA1
SCHEMBL1857428 0.75 ALDH1A1 (0.32)
SCHEMBL5356079 0.72
SCHEMBL3331716 0.71 GABRP (0.48) CYP1A2CPA1
SCHEMBL8370934 0.71 CPA1 (0.44) GABRR1CYP1A2CPA1
SCHEMBL25927373 0.71 BLM (0.44) GABRR1CYP1A2
SCHEMBL1123161 0.71 ALDH1A1 (0.36)
SCHEMBL2348277 0.71 GABRR1 (0.59) GABRR1CYP1A2
SCHEMBL25927374 0.71 BLM (0.44) GABRR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3863428-A1 WATER SOLUBLE FLAVOR COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE THEREOF EPC Natural Products Co., Ltd. (CN) 2021-08-18 EP disclosed
WO-2019214567-A1 SWEETENER AND FLAVOR COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE THEREOF EPC NATURAL PRODUCTS CO., LTD. (CN) 2019-11-14 WO disclosed