SCHEMBL30452273

SCHEMBL30452273

C=COC(=O)OCCCCCCCCCCCCCCCCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.52
TSHR P16473 6/20 0.52
HPGD P15428 1/20 0.50
HCAR2 Q8TDS4 2/20 0.49
EPHX1 P07099 1/20 0.48
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 1/20 0.45
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ATM Q13315 1/20 0.44
FAAH O00519 1/20 0.43
LMNA P02545 1/20 0.43
ACHE P22303 4/20 0.43

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
SCHEMBL10519867 1.00 NAAA (0.52) NAAATSHRHPGDHCAR2EPHX1
SCHEMBL18864334 1.00 NAAA (0.52) NAAATSHRHPGDHCAR2EPHX1
SCHEMBL3666982 1.00 NAAA (0.52) NAAATSHRHPGDHCAR2EPHX1
SCHEMBL13786723 1.00 NAAA (0.52) NAAATSHRHPGDHCAR2EPHX1
SCHEMBL1603365 0.98 TSHR (0.52) NAAATSHRHPGDHCAR2EPHX1
SCHEMBL5537440 0.92 TSHR (0.59) NAAATSHRHPGDHCAR2EPHX1
SCHEMBL4123609 0.92 FAAH (0.52) CYP3A4NPSR1ATMFAAHLMNA
SCHEMBL4123603 0.92 FAAH (0.52) CYP3A4NPSR1ATMFAAHLMNA
SCHEMBL4364910 0.92 FAAH (0.52) CYP3A4NPSR1ATMFAAHLMNA
SCHEMBL284174 0.90 TSHR (0.54) NAAATSHRHPGDHCAR2EPHX1

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
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