SCHEMBL7595255

SCHEMBL7595255

CC(CCC(=O)[O-])(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1.CC(CCC(=O)[O-])(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1.[Mg+2]

nearest known ligand 0.56

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.56
CYSLTR1 Q9Y271 7/20 0.56
CYSLTR2 Q9NS75 6/20 0.56
FFAR1 O14842 1/20 0.55
AKR1B1 P15121 1/20 0.55
ALOX5 P09917 3/20 0.53
PDE10A Q9Y233 2/20 0.51
ALOX5AP P20292 2/20 0.50

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
SCHEMBL3048635 0.98 GPBAR1 (0.56) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL7597414 0.92 CYSLTR1 (0.56) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL8451436 0.91 FFAR1 (0.53) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL6440668 0.89 CYSLTR1 (0.67) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL30538032 0.89 CYSLTR1 (0.67) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL3048632 0.88 CYSLTR1 (0.66) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL3048640 0.88 CYSLTR1 (0.66) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL7595258 0.88 CYSLTR1 (0.66) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL8309652 0.88 NPC1 (0.47) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL7599588 0.87 CYSLTR1 (0.62) GPBAR1CYSLTR1CYSLTR2FFAR1AKR1B1

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