SCHEMBL10814092

SCHEMBL10814092

CCCCCCOC(=O)CCCCCCCOc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 7/20 0.52
▸ LMNA P02545 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ NPY1R P25929 1/20 0.46
▸ NPY2R P49146 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ DGKA P23743 1/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ PRSS2 P07478 1/20 0.40
▸ PRSS3 P35030 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
SCHEMBL10810536 0.92 FAAH (0.61) FAAHLMNAL3MBTL1ALDH1A1NPY1R
SCHEMBL5720077 0.92 FAAH (0.61) FAAHLMNAL3MBTL1ALDH1A1NPY1R
SCHEMBL11052412 0.92 FAAH (0.61) FAAHLMNAL3MBTL1ALDH1A1NPY1R
SCHEMBL11059455 0.92 FAAH (0.61) FAAHLMNAL3MBTL1ALDH1A1NPY1R
SCHEMBL5720369 0.91 FAAH (0.62) FAAHLMNAL3MBTL1ALDH1A1NPY1R
SCHEMBL11113206 0.88 ALDH1A1 (0.53) FAAHLMNAL3MBTL1ALDH1A1NPY1R
SCHEMBL10815797 0.88 ALDH1A1 (0.53) FAAHLMNAL3MBTL1ALDH1A1NPY1R
SCHEMBL11058331 0.87 FAAH (0.56) FAAHLMNAL3MBTL1ALDH1A1NPY1R
SCHEMBL10814504 0.87 FAAH (0.56) FAAHLMNAL3MBTL1ALDH1A1NPY1R
SCHEMBL10818300 0.87 FAAH (0.56) FAAHLMNAL3MBTL1ALDH1A1NPY1R

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
EP-0104342-B1 TRIPHENYLIMIDAZOLYLOXYALCANOIC ACIDS AND THEIR DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM A. Nattermann & Cie. GmbH (DE) 1987-01-28 — — EP disclosed
US-4460598-A Triphenylimidazolyloxyalkanoic acids and their derivatives and a process for the treatment of thromboembolic, inflammatory and/or atheriosclerotic diseases A. NATTERMANN & CIE GMBH (DE) 1984-07-17 — — US disclosed
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