SCHEMBL11059270

SCHEMBL11059270

COC(=O)CCCOc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 9/20 0.53
▸ LTB4R Q15722 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ NPY1R P25929 1/20 0.43
▸ NPY2R P49146 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ FPR2 P25090 2/20 0.40
▸ BCHE P06276 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPK13 O15264 1/20 0.39
▸ MAPK12 P53778 1/20 0.39
▸ MAPK11 Q15759 1/20 0.39

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
SCHEMBL10814504 0.95 FAAH (0.56) FAAHLTB4RALDH1A1LMNANPY1R
SCHEMBL11058331 0.95 FAAH (0.56) FAAHLTB4RALDH1A1LMNANPY1R
SCHEMBL10818300 0.95 FAAH (0.56) FAAHLTB4RALDH1A1LMNANPY1R
SCHEMBL10816580 0.89 FAAH (0.53) FAAHLTB4RALDH1A1LMNAL3MBTL1
SCHEMBL11055671 0.89 FAAH (0.63) FAAHALDH1A1LMNANPY1RNPY2R
SCHEMBL10813329 0.88 FAAH (0.52) FAAHLTB4RSMN1; SMN2FABP3FABP4
SCHEMBL10813974 0.88 FAAH (0.49) FAAHLTB4RALDH1A1LMNANPY1R
SCHEMBL10815671 0.88 FAAH (0.52) FAAHLTB4RALDH1A1LMNAL3MBTL1
SCHEMBL10811110 0.88 FAAH (0.49) FAAHLTB4RALDH1A1LMNANPY1R
SCHEMBL10813396 0.88 FAAH (0.49) FAAHLTB4RALDH1A1CYP1A2FABP3

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
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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