SCHEMBL28299062

SCHEMBL28299062

CCCCCCCOC(=O)C(C)(O)CCC

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.50
EPHX1 P07099 1/20 0.47
TSHR P16473 3/20 0.46
HCAR2 Q8TDS4 1/20 0.43
RAD52 P43351 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
FAAH O00519 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
ACHE P22303 6/20 0.42
DGKA P23743 1/20 0.41
HTR2C P28335 1/20 0.41

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
SCHEMBL2532080 0.93 NAAA (0.50) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL28265469 0.93 NAAA (0.50) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL2532077 0.93 NAAA (0.50) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL28686443 0.93 NAAA (0.50) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL17023983 0.91 NAAA (0.47) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL15011210 0.87 NAAA (0.52) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL4074831 0.87 NAAA (0.52) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL357425 0.87 NAAA (0.52) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL2251073 0.85 NAAA (0.48) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL9233388 0.85 ALDH1A1 (0.48) NAAAEPHX1TSHRHCAR2ALDH1A1

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-109843848-A Method for producing hydroxyalkyl carboxylic acid esters 巴斯夫欧洲公司 2019-06-04 CN disclosed