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SCHEMBL9252706

SCHEMBL9252706

CC(C)(C)C(=O)c1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12.[Na]

nearest known ligand 0.84

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.84
▸ PTGS2 P35354 1/20 0.84
▸ ALOX5AP P20292 18/20 0.82
▸ ALOX5 P09917 3/20 0.76
▸ CYP3A4 P08684 1/20 0.76
▸ CYP2D6 P10635 1/20 0.76
▸ CYP2C9 P11712 1/20 0.76

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
SCHEMBL2108321 0.99 PTGS1 (0.85) PTGS1PTGS2ALOX5APALOX5CYP3A4
SCHEMBL9252681 0.98 PTGS1 (0.84) PTGS1PTGS2ALOX5APALOX5CYP3A4
SCHEMBL2107929 0.93 PTGS1 (0.82) PTGS1PTGS2ALOX5APALOX5CYP3A4
SCHEMBL2107877 0.92 PTGS1 (0.86) PTGS1PTGS2ALOX5APALOX5CYP3A4
SCHEMBL8559127 0.92 PTGS1 (0.75) PTGS1PTGS2ALOX5APALOX5CYP3A4
SCHEMBL9252691 0.92 ALOX5AP (0.78) PTGS1PTGS2ALOX5APALOX5CYP3A4
SCHEMBL2107740 0.92 PTGS1 (0.85) PTGS1PTGS2ALOX5APALOX5CYP3A4
SCHEMBL2108907 0.92 PTGS1 (0.87) PTGS1PTGS2ALOX5APALOX5CYP3A4
SCHEMBL2109203 0.92 PTGS1 (0.85) PTGS1PTGS2ALOX5APALOX5CYP3A4
SCHEMBL2108178 0.91 PTGS1 (1.00) PTGS1PTGS2ALOX5APALOX5CYP3A4

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-5380850-A Quinoline hydrazine intermediates MERCK FROSST CANADA, INC. (CA) 1995-01-10 — — US disclosed