SCHEMBL7598790

SCHEMBL7598790

COC(=O)CCC(C)(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 6/20 0.56
CYSLTR2 Q9NS75 4/20 0.56
GPBAR1 Q8TDU6 1/20 0.56
ALOX5AP P20292 2/20 0.55
FFAR1 O14842 1/20 0.55
AKR1B1 P15121 1/20 0.55
ALOX5 P09917 1/20 0.53

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
SCHEMBL8842339 0.97 CYSLTR1 (0.53) CYSLTR1CYSLTR2GPBAR1ALOX5APFFAR1
SCHEMBL7599588 0.91 CYSLTR1 (0.62) CYSLTR1CYSLTR2GPBAR1ALOX5APFFAR1
SCHEMBL8842004 0.90 ALDH1A1 (0.49) CYSLTR1CYSLTR2ALOX5APALOX5
SCHEMBL30538032 0.89 CYSLTR1 (0.67) CYSLTR1CYSLTR2GPBAR1ALOX5APFFAR1
SCHEMBL6440668 0.89 CYSLTR1 (0.67) CYSLTR1CYSLTR2GPBAR1ALOX5APFFAR1
SCHEMBL7595258 0.88 CYSLTR1 (0.66) CYSLTR1CYSLTR2GPBAR1ALOX5APFFAR1
SCHEMBL3048632 0.88 CYSLTR1 (0.66) CYSLTR1CYSLTR2GPBAR1ALOX5APFFAR1
SCHEMBL3048640 0.88 CYSLTR1 (0.66) CYSLTR1CYSLTR2GPBAR1ALOX5APFFAR1
SCHEMBL3048635 0.87 GPBAR1 (0.56) CYSLTR1CYSLTR2GPBAR1ALOX5APFFAR1
SCHEMBL7595255 0.87 GPBAR1 (0.56) CYSLTR1CYSLTR2GPBAR1ALOX5APFFAR1

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