SCHEMBL7599896

SCHEMBL7599896

CC(CCC(=O)O)(c1ccc(OCc2ccc3ccc(F)cc3n2)cc1)c1ccc(OCc2ccc3ccc(F)cc3n2)cc1.[Na]

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 15/20 0.55
CYSLTR1 Q9Y271 15/20 0.55
FFAR1 O14842 1/20 0.47
AKR1B1 P15121 1/20 0.47
ALDH1A1 P00352 1/20 0.45
ESR1 P03372 1/20 0.45
CYP3A4 P08684 1/20 0.45
ESR2 Q92731 1/20 0.45
ALOX5AP P20292 2/20 0.44
GPBAR1 Q8TDU6 1/20 0.43

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
SCHEMBL7599371 0.99 CYSLTR2 (0.56) CYSLTR2CYSLTR1FFAR1AKR1B1ALDH1A1
SCHEMBL7599886 0.98 CYSLTR2 (0.55) CYSLTR2CYSLTR1FFAR1AKR1B1ALDH1A1
SCHEMBL7599144 0.93 CYSLTR2 (0.49) CYSLTR2CYSLTR1FFAR1AKR1B1ALDH1A1
SCHEMBL7594815 0.92 CYSLTR2 (0.49) CYSLTR2CYSLTR1FFAR1AKR1B1ALDH1A1
SCHEMBL7599131 0.91 CYSLTR2 (0.49) CYSLTR2CYSLTR1FFAR1AKR1B1ALDH1A1
SCHEMBL7599889 0.89 CYSLTR2 (0.49) CYSLTR2CYSLTR1FFAR1AKR1B1ALOX5AP
SCHEMBL7595841 0.86 CYSLTR2 (0.49) CYSLTR2CYSLTR1FFAR1AKR1B1ALDH1A1
SCHEMBL3048640 0.86 CYSLTR1 (0.66) CYSLTR2CYSLTR1FFAR1AKR1B1ALOX5AP
SCHEMBL30538032 0.85 CYSLTR1 (0.67) CYSLTR2CYSLTR1FFAR1AKR1B1ALOX5AP
SCHEMBL6440668 0.85 CYSLTR1 (0.67) CYSLTR2CYSLTR1FFAR1AKR1B1ALOX5AP

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 5 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 claimed
US-5795900-A Symmetrical bis-heteroaryl-methoxy-phenylalkyl carboxylates as inhibitors of leukotriene biosynthesis ABBOTT LABORATORIES (US) 1998-08-18 US claimed
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