SCHEMBL9294114

SCHEMBL9294114

CCCCCCOC(=O)CC(C)(C)O

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.62
RAD52 P43351 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
DGKA P23743 1/20 0.52
FAAH O00519 2/20 0.51
HTR2C P28335 1/20 0.50
EPHX1 P07099 1/20 0.48
TSHR P16473 3/20 0.47
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
HCAR2 Q8TDS4 1/20 0.44
DNM1 Q05193 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
ACHE P22303 2/20 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
SCHEMBL15796763 1.00 NAAA (0.62) NAAARAD52NPSR1DGKAFAAH
SCHEMBL15234462 0.98 NAAA (0.59) NAAARAD52NPSR1DGKAFAAH
SCHEMBL95965 0.92 ALDH1A1 (0.50) NAAARAD52NPSR1DGKAFAAH
SCHEMBL20260349 0.86 NAAA (0.64) NAAARAD52NPSR1DGKAFAAH
SCHEMBL26680181 0.86 NAAA (0.64) NAAARAD52NPSR1DGKAFAAH
SCHEMBL18856234 0.86 NAAA (0.64) NAAARAD52NPSR1DGKAFAAH
SCHEMBL9294112 0.85 NAAA (0.62) NAAARAD52NPSR1DGKAFAAH
SCHEMBL13602569 0.84 NAAA (0.61) NAAARAD52NPSR1DGKAFAAH
SCHEMBL3281750 0.84 NAAA (0.56) NAAARAD52NPSR1DGKAFAAH
SCHEMBL18388527 0.83 NAAA (0.60) NAAARAD52NPSR1DGKAFAAH

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
US-RE34722-E Antiulcer agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US disclosed
US-4578381-A ANTIULCER AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-03-25 US disclosed