SCHEMBL7801832

SCHEMBL7801832

N#CCCOC1c2ccccc2COc2ccc(OCc3ccc4ccc(Cl)cc4n3)cc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.39
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE10A Q9Y233 2/20 0.35
CYSLTR1 Q9Y271 3/20 0.35
CYSLTR2 Q9NS75 2/20 0.35
GPBAR1 Q8TDU6 2/20 0.35
ALOX5 P09917 1/20 0.34
ALOX5AP P20292 1/20 0.33

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
SCHEMBL7808112 0.86 LTB4R (0.38) LTB4R
SCHEMBL7809755 0.85 LTB4R (0.41) LTB4RCYSLTR1CYSLTR2GPBAR1ALOX5AP
SCHEMBL7806727 0.84 LTB4R (0.44) LTB4RKDM4EMEN1MAPTKMT2A
SCHEMBL7801711 0.84 LTB4R (0.36) LTB4RKDM4EMEN1MAPTKMT2A
SCHEMBL7806673 0.83 LTB4R (0.47) LTB4RKDM4EMEN1MAPTKMT2A
SCHEMBL7801429 0.82 LTB4R (0.43) LTB4RKDM4EMEN1MAPTKMT2A
SCHEMBL7801575 0.80 LTB4R (0.40) LTB4RCYSLTR1CYSLTR2ALOX5ALOX5AP
SCHEMBL7802773 0.79 LTB4R (0.40) LTB4RCYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL7810729 0.78 TBXA2R (0.41) LTB4R
SCHEMBL7809294 0.78 ALOX5AP (0.42) LTB4RCYSLTR1ALOX5AP

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-0685478-B1 QUINOLINE DERIVATIVES UBE INDUSTRIES (JP) 2001-10-24 EP disclosed
US-5591752-A LEUKOTRIENE ANTAGONIST, ANTIALLERGEN, ANTIINFLAMMATORY AGENT, DIBENZ(B,E)OXEPINE UBE INDUSTRIES, LTD. (JP) 1997-01-07 US disclosed
EP-0685478-A1 QUINOLINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 1995-12-06 EP disclosed