SCHEMBL31568720

SCHEMBL31568720

CCCCCOC(=O)CC=O.CCOC(=O)CC=O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.55
RAD52 P43351 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
FAAH O00519 2/20 0.46
DGKA P23743 1/20 0.46
HTR2C P28335 1/20 0.45
HCAR2 Q8TDS4 2/20 0.44
EPHX1 P07099 1/20 0.43
ATM Q13315 1/20 0.42
TSHR P16473 3/20 0.42
ALDH1A1 P00352 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4910652 0.94 NAAA (0.61) NAAARAD52NPSR1FAAHDGKA
SCHEMBL28301942 0.92 NAAA (0.64) NAAARAD52NPSR1FAAHDGKA
SCHEMBL10714622 0.92 NAAA (0.64) NAAARAD52NPSR1FAAHDGKA
SCHEMBL7627118 0.92 NAAA (0.64) NAAARAD52NPSR1FAAHDGKA
SCHEMBL28129434 0.92 NAAA (0.64) NAAARAD52NPSR1FAAHDGKA
SCHEMBL4901016 0.92 NAAA (0.64) NAAARAD52NPSR1FAAHDGKA
SCHEMBL16741941 0.92 NAAA (0.64) NAAARAD52NPSR1FAAHDGKA
SCHEMBL3964880 0.88 ATM (0.54) NAAARAD52NPSR1FAAHDGKA
SCHEMBL82647 0.84
SCHEMBL8992680 0.82

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-115151527-B Process for the preparation of cyanoacetic esters 汉高股份有限及两合公司 2025-05-13 CN disclosed