SCHEMBL30080643

SCHEMBL30080643

CCCCCCCCCCCCCCCCCCCOC(=O)C(F)(F)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.52
CES2 O00748 1/20 0.50
EPHX1 P07099 1/20 0.48
TSHR P16473 3/20 0.47
CES1 P23141 1/20 0.46
HCAR2 Q8TDS4 1/20 0.44
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FAAH O00519 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
ACHE P22303 6/20 0.43
DGKA P23743 1/20 0.42

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
SCHEMBL29078878 1.00 NAAA (0.52) NAAACES2EPHX1TSHRCES1
SCHEMBL30475149 1.00 NAAA (0.52) NAAACES2EPHX1TSHRCES1
SCHEMBL28533239 1.00 NAAA (0.52) NAAACES2EPHX1TSHRCES1
SCHEMBL2691818 1.00 NAAA (0.52) NAAACES2EPHX1TSHRCES1
SCHEMBL2690881 1.00 NAAA (0.52) NAAACES2EPHX1TSHRCES1
SCHEMBL30475152 1.00 NAAA (0.52) NAAACES2EPHX1TSHRCES1
SCHEMBL30475139 1.00 NAAA (0.52) NAAACES2EPHX1TSHRCES1
SCHEMBL31508970 1.00 NAAA (0.52) NAAACES2EPHX1TSHRCES1
SCHEMBL30475164 1.00 NAAA (0.52) NAAACES2EPHX1TSHRCES1
SCHEMBL2691707 0.98 NAAA (0.48) NAAACES2EPHX1TSHRCES1

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
CN-116272256-A Method and device for collecting tobacco fragrance in redried tobacco tail gas 云南烟叶复烤有限责任公司 2023-06-23 CN disclosed
CN-113861517-B Konjac glucomannan porous composite membrane, preparation method and application thereof 云南中烟工业有限责任公司 2022-11-18 CN disclosed