SCHEMBL7594514

SCHEMBL7594514

COC(=O)CC(O)CC(=N)CC(C)(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.48
GPBAR1 Q8TDU6 1/20 0.47
CYSLTR1 Q9Y271 3/20 0.46
CYSLTR2 Q9NS75 2/20 0.46
PDE10A Q9Y233 1/20 0.46
ALOX5 P09917 1/20 0.46
FFAR1 O14842 1/20 0.45
AKR1B1 P15121 1/20 0.45

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
SCHEMBL7595077 0.91 CYSLTR2 (0.52) ALOX5APGPBAR1CYSLTR1CYSLTR2PDE10A
SCHEMBL8688616 0.83 CYSLTR1 (0.52) ALOX5APGPBAR1CYSLTR1CYSLTR2PDE10A
SCHEMBL7598790 0.80 CYSLTR1 (0.56) ALOX5APGPBAR1CYSLTR1CYSLTR2ALOX5
SCHEMBL7592902 0.79 GPBAR1 (0.64) ALOX5APGPBAR1CYSLTR1CYSLTR2PDE10A
SCHEMBL8645138 0.78 GPBAR1 (0.59) ALOX5APGPBAR1CYSLTR1CYSLTR2PDE10A
SCHEMBL7596624 0.78 CYSLTR1 (0.68) ALOX5APGPBAR1CYSLTR1CYSLTR2PDE10A
SCHEMBL7596636 0.77 ALOX5 (0.44) ALOX5APGPBAR1CYSLTR1CYSLTR2ALOX5
SCHEMBL8688436 0.77 CYSLTR1 (0.59) ALOX5APGPBAR1CYSLTR1CYSLTR2PDE10A
SCHEMBL8842339 0.77 CYSLTR1 (0.53) ALOX5APGPBAR1CYSLTR1CYSLTR2ALOX5
SCHEMBL7592647 0.76 GPBAR1 (0.54) ALOX5APGPBAR1CYSLTR1CYSLTR2PDE10A

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
EP-0862557-B1 SYMMETRICAL bis-HETEROARYLMETHOXYPHENYLALKYL CARBOXYLATES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LAB (US) 2002-11-27 EP disclosed