SCHEMBL10813974

SCHEMBL10813974

COC(=O)CCCCCCCOc1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 7/20 0.49
▸ MAPK14 Q16539 3/20 0.48
▸ MAPK13 O15264 1/20 0.48
▸ MAPK12 P53778 1/20 0.48
▸ MAPK11 Q15759 1/20 0.48
▸ LTB4R Q15722 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ CASP1 P29466 2/20 0.40
▸ CASP7 P55210 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ LMNA P02545 1/20 0.38
▸ NPY1R P25929 1/20 0.38
▸ NPY2R P49146 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38

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 0.93 FAAH (0.56) FAAHLTB4RALDH1A1CYP1A2CYP2C19
SCHEMBL10818300 0.93 FAAH (0.56) FAAHLTB4RALDH1A1CYP1A2CYP2C19
SCHEMBL11058331 0.93 FAAH (0.56) FAAHLTB4RALDH1A1CYP1A2CYP2C19
SCHEMBL10811110 0.90 FAAH (0.49) FAAHLTB4RALDH1A1CYP1A2CASP1
SCHEMBL10813396 0.90 FAAH (0.49) FAAHLTB4RALDH1A1CYP1A2CASP1
SCHEMBL10815043 0.90 LTB4R (0.51) FAAHMAPK14MAPK13MAPK12MAPK11
SCHEMBL11060626 0.89 LTB4R (0.50) FAAHMAPK14MAPK13MAPK12MAPK11
SCHEMBL11059270 0.88 FAAH (0.53) FAAHMAPK14MAPK13MAPK12MAPK11
SCHEMBL11060625 0.87 LTB4R (0.41) FAAHLTB4RALDH1A1CYP1A2MAPK1
SCHEMBL10816580 0.87 FAAH (0.53) FAAHLTB4RALDH1A1CYP1A2CYP2C19

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 3 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
EP-0104342-A1 Triphenylimidazolyloxyalcanoic acids and their derivatives, process for their preparation and pharmaceutical compositions containing them A. Nattermann & Cie. GmbH (DE) 1984-04-04 — — EP disclosed
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