SCHEMBL8922630

SCHEMBL8922630

O=C(O)C(=NO)C1CCC(c2ccc(OCc3ccc4ccc(Cl)cc4n3)cc2)(c2ccc(OCc3ccc4ccc(Cl)cc4n3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 10/20 0.41
CYSLTR2 Q9NS75 4/20 0.40
CYSLTR1 Q9Y271 4/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
ALOX5 P09917 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL8922584 1.00 ALOX5AP (0.41) ALOX5APCYSLTR2CYSLTR1GPBAR1ALOX5
SCHEMBL8892343 0.89 CYSLTR2 (0.48) ALOX5APCYSLTR2CYSLTR1GPBAR1ALOX5
SCHEMBL8922928 0.81 ALOX5 (0.46) ALOX5APCYSLTR2CYSLTR1GPBAR1ALOX5
SCHEMBL8922598 0.80 ALOX5 (0.46) ALOX5APCYSLTR2CYSLTR1ALOX5
SCHEMBL8922390 0.80 ALOX5AP (0.41) ALOX5APCYSLTR2CYSLTR1
SCHEMBL8921534 0.78 ALOX5AP (0.41) ALOX5APCYSLTR2CYSLTR1ALOX5
SCHEMBL8892201 0.77 CYSLTR2 (0.52) ALOX5APCYSLTR2CYSLTR1GPBAR1ALOX5
SCHEMBL8892191 0.77 CYSLTR2 (0.52) ALOX5APCYSLTR2CYSLTR1GPBAR1ALOX5
SCHEMBL8925370 0.77 CYSLTR2 (0.63) ALOX5APCYSLTR2CYSLTR1GPBAR1ALOX5
SCHEMBL8922287 0.76 CYSLTR2 (0.64) ALOX5APCYSLTR2CYSLTR1GPBAR1ALOX5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5691351-A Bis-(Heteroarylmethoxyphenyl)cycloalkyl carboxylates as inhibitors of leukotriene biosynthesis ABBOTT LABORATORIES (US) 1997-11-25 US disclosed