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SCHEMBL9254050

SCHEMBL9254050

C=CCOc1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)OCC)n2Cc1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 19/20 0.63
▸ ALOX5 P09917 9/20 0.60
▸ CYP3A4 P08684 2/20 0.60
▸ CYP2C9 P11712 2/20 0.60
▸ PTGES2 Q9H7Z7 1/20 0.59
▸ CYP2D6 P10635 1/20 0.57

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
SCHEMBL9581549 0.92 PTGES2 (0.70) ALOX5APALOX5CYP3A4CYP2C9PTGES2
SCHEMBL30181651 0.88 PTGES2 (0.67) ALOX5APALOX5CYP3A4CYP2C9PTGES2
SCHEMBL169604 0.88 PTGES2 (0.67) ALOX5APALOX5CYP3A4CYP2C9PTGES2
SCHEMBL1192956 0.88 ALOX5AP (0.81) ALOX5APALOX5CYP3A4CYP2C9PTGES2
SCHEMBL1193638 0.87 ALOX5AP (0.63) ALOX5APALOX5CYP3A4CYP2C9PTGES2
SCHEMBL25968196 0.85 PTGES2 (0.67) ALOX5APALOX5CYP3A4CYP2C9PTGES2
SCHEMBL9047849 0.85 PTGES2 (0.62) ALOX5APALOX5CYP3A4CYP2C9PTGES2
SCHEMBL167199 0.85 PTGES2 (0.66) ALOX5APALOX5CYP3A4CYP2C9PTGES2
SCHEMBL9447575 0.83 ALOX5AP (0.79) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
SCHEMBL9304834 0.83 ALOX5AP (0.83) ALOX5APALOX5CYP3A4CYP2C9CYP2D6

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-5420282-A Inhibitors of leukotriene biosynthesis ABBOTT LABORATORIES (US) 1995-05-30 — — US disclosed