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Sugi Predict / Compounds / SCHEMBL2488078

SCHEMBL2488078

SCHEMBL2488078

CCOC(=O)C(C)(C)Cc1c(SC(C)(C)C)c2cc(OCc3ccc(C)cn3)ccc2n1Cc1ccc(-c2ccc(OC)nc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 20/20 0.86
▸ PTGS1 P23219 3/20 0.86
▸ ALOX5 P09917 1/20 0.80
▸ LTC4S Q16873 1/20 0.80
▸ CYP3A4 P08684 2/20 0.69
▸ CYP2C9 P11712 2/20 0.69

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
SCHEMBL1394760 0.95 ALOX5AP (0.88) ALOX5APPTGS1ALOX5LTC4SCYP3A4
SCHEMBL169599 0.93 ALOX5AP (0.86) ALOX5APPTGS1CYP3A4CYP2C9
SCHEMBL170252 0.92 ALOX5AP (1.00) ALOX5APPTGS1ALOX5LTC4SCYP3A4
SCHEMBL5529863 0.92 ALOX5AP (0.74) ALOX5APPTGS1ALOX5LTC4S
SCHEMBL3469195 0.89 ALOX5AP (0.86) ALOX5APPTGS1ALOX5LTC4SCYP3A4
Fiboflapon SCHEMBL29379276 0.89 ALOX5AP (1.00) ALOX5APPTGS1ALOX5LTC4SCYP3A4
Fiboflapon SCHEMBL11820 0.89 ALOX5AP (1.00) ALOX5APPTGS1ALOX5LTC4SCYP3A4
SCHEMBL12526775 0.89 ALOX5AP (0.90) ALOX5APPTGS1ALOX5LTC4SCYP3A4
Fiboflapon SCHEMBL29723363 0.89 ALOX5AP (1.00) ALOX5APPTGS1ALOX5LTC4SCYP3A4
SCHEMBL1193698 0.89 ALOX5AP (0.86) ALOX5APPTGS1ALOX5LTC4S

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
EP-1943219-B1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS INC (US) 2011-10-26 — — EP disclosed