SCHEMBL8309656

SCHEMBL8309656

CC(CCC(=O)O)(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2nc3ccccc3s2)cc1.[Na]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 8/20 0.54
CYSLTR2 Q9NS75 7/20 0.54
FFAR1 O14842 1/20 0.53
AKR1B1 P15121 1/20 0.53
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALOX5 P09917 1/20 0.49
EPHX2 P34913 1/20 0.49
GPBAR1 Q8TDU6 1/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALOX5AP P20292 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48

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
SCHEMBL8312400 0.99 CYSLTR1 (0.55) CYSLTR1CYSLTR2FFAR1AKR1B1ALDH1A1
SCHEMBL8309648 0.98 CYSLTR1 (0.54) CYSLTR1CYSLTR2FFAR1AKR1B1ALDH1A1
SCHEMBL7607544 0.91 MAPT (0.60) ALDH1A1MAPTKDM4ETDP1ALOX5
SCHEMBL8309652 0.90 NPC1 (0.47) CYSLTR1CYSLTR2FFAR1AKR1B1ALDH1A1
SCHEMBL8842004 0.90 ALDH1A1 (0.49) CYSLTR1CYSLTR2ALDH1A1MAPTKDM4E
SCHEMBL7608634 0.90 MAPT (0.59) ALDH1A1MAPTKDM4ETDP1ALOX5
SCHEMBL3048640 0.90 CYSLTR1 (0.66) CYSLTR1CYSLTR2FFAR1AKR1B1ALOX5
SCHEMBL6440668 0.89 CYSLTR1 (0.67) CYSLTR1CYSLTR2FFAR1AKR1B1ALOX5
SCHEMBL30538032 0.89 CYSLTR1 (0.67) CYSLTR1CYSLTR2FFAR1AKR1B1ALOX5
SCHEMBL3048632 0.88 CYSLTR1 (0.66) CYSLTR1CYSLTR2FFAR1AKR1B1ALOX5

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-0920428-A1 NON-SYMMETRICAL BIS-HETEROARYLMETHOXYPHENYLALKYL CARBOXYLATES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS Abbott Laboratories (US) 1999-06-09 EP claimed
WO-1998004555-A1 NON-SYMMETRICAL BIS-HETEROARYLMETHOXYPHENYLALKYL CARBOXYLATES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1998-02-05 WO claimed
EP-0920428-A1 NON-SYMMETRICAL BIS-HETEROARYLMETHOXYPHENYLALKYL CARBOXYLATES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS Abbott Laboratories (US) 1999-06-09 EP disclosed
WO-1998004555-A1 NON-SYMMETRICAL BIS-HETEROARYLMETHOXYPHENYLALKYL CARBOXYLATES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1998-02-05 WO disclosed
US-5668150-A ANTIALLERGY, ANTIINFLAMMATORY ABBOTT LABORATORIES (US) 1997-09-16 US disclosed