Sugi Predict

Sugi Predict / Compounds / SCHEMBL14767898

SCHEMBL14767898

SCHEMBL14767898

CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(-c3cccnc3)cc2)c2ccc(OCc3ccccn3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 20/20 1.00
▸ CYP2C9 P11712 5/20 1.00
▸ CYP3A4 P08684 4/20 1.00
▸ CYP2D6 P10635 2/20 1.00
▸ ALOX5 P09917 2/20 0.80
▸ PTGS1 P23219 2/20 0.75

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
SCHEMBL176727 0.94 ALOX5AP (1.00) ALOX5APCYP2C9CYP3A4CYP2D6ALOX5
SCHEMBL169228 0.94 ALOX5AP (1.00) ALOX5APCYP2C9CYP3A4CYP2D6ALOX5
SCHEMBL166648 0.93 ALOX5AP (0.88) ALOX5APCYP2C9CYP3A4CYP2D6ALOX5
SCHEMBL1722378 0.92 ALOX5AP (1.00) ALOX5APCYP2C9CYP3A4CYP2D6ALOX5
SCHEMBL1722957 0.92 ALOX5AP (0.89) ALOX5APCYP2C9CYP3A4CYP2D6ALOX5
SCHEMBL169226 0.92 ALOX5AP (0.85) ALOX5APCYP2C9CYP3A4CYP2D6ALOX5
SCHEMBL1724974 0.92 ALOX5AP (0.88) ALOX5APCYP2C9CYP3A4CYP2D6ALOX5
SCHEMBL1724760 0.91 ALOX5AP (0.84) ALOX5APCYP2C9CYP3A4CYP2D6ALOX5
SCHEMBL170180 0.91 ALOX5AP (1.00) ALOX5APCYP2C9CYP3A4CYP2D6ALOX5
SCHEMBL169407 0.90 ALOX5AP (1.00) ALOX5APCYP2C9CYP3A4CYP2D6ALOX5

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-8399666-B2 5-lipoxygenase-activating protein (FLAP) inhibitors PANMIRA PHARMACEUTICALS, LLC (US) 2013-03-19 — — US claimed