SCHEMBL7599131

SCHEMBL7599131

CC(CCC(=O)O)(c1ccc(OCc2ccc3cc(F)ccc3n2)cc1)c1ccc(OCc2ccc3cc(F)ccc3n2)cc1.[NaH]

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 11/20 0.49
CYSLTR1 Q9Y271 11/20 0.49
ALOX5 P09917 1/20 0.47
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE10A Q9Y233 2/20 0.47
ALOX5AP P20292 3/20 0.47
FFAR1 O14842 1/20 0.47
AKR1B1 P15121 1/20 0.47
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ESR1 P03372 1/20 0.44
CYP3A4 P08684 1/20 0.44
ESR2 Q92731 1/20 0.44
GPBAR1 Q8TDU6 1/20 0.42

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
SCHEMBL7594815 0.99 CYSLTR2 (0.49) CYSLTR2CYSLTR1ALOX5PDE4APDE4B
SCHEMBL7599144 0.98 CYSLTR2 (0.49) CYSLTR2CYSLTR1ALOX5PDE4APDE4B
SCHEMBL7599886 0.93 CYSLTR2 (0.55) CYSLTR2CYSLTR1ALOX5APFFAR1AKR1B1
SCHEMBL7599371 0.92 CYSLTR2 (0.56) CYSLTR2CYSLTR1ALOX5APFFAR1AKR1B1
SCHEMBL7599896 0.91 CYSLTR2 (0.55) CYSLTR2CYSLTR1ALOX5APFFAR1AKR1B1
SCHEMBL7599134 0.89 PDE4A (0.46) CYSLTR2CYSLTR1ALOX5PDE4APDE4B
SCHEMBL3048632 0.85 CYSLTR1 (0.66) CYSLTR2CYSLTR1ALOX5PDE10AALOX5AP
SCHEMBL6440668 0.84 CYSLTR1 (0.67) CYSLTR2CYSLTR1ALOX5PDE10AALOX5AP
SCHEMBL30538032 0.84 CYSLTR1 (0.67) CYSLTR2CYSLTR1ALOX5PDE10AALOX5AP
SCHEMBL7595258 0.83 CYSLTR1 (0.66) CYSLTR2CYSLTR1ALOX5PDE10AALOX5AP

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-0862557-B1 SYMMETRICAL bis-HETEROARYLMETHOXYPHENYLALKYL CARBOXYLATES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LAB (US) 2002-11-27 EP disclosed
US-5843968-A Symmetrical bis-heteroarylmethoxy-phenylalkyl carboxylates as inhibitors of leukotriene biosynthesis ABBOTT LABORATORIES (US) 1998-12-01 US disclosed
US-5795900-A Symmetrical bis-heteroaryl-methoxy-phenylalkyl carboxylates as inhibitors of leukotriene biosynthesis ABBOTT LABORATORIES (US) 1998-08-18 US disclosed