SCHEMBL9388581

SCHEMBL9388581

CC(C)(C)Sc1c(CC(C)(C)C(=O)O)[nH]c2ccc(OCc3ccc4ccccc4c3)c(Cc3ccc(Cl)cc3)c12

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 20/20 0.52
ALOX5 P09917 7/20 0.52
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL1811551 0.88 ALOX5AP (0.60) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
SCHEMBL9391725 0.86 ALOX5AP (0.49) ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL9387633 0.86 ALOX5AP (0.51) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
SCHEMBL9391168 0.85 ALOX5AP (0.52) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
SCHEMBL9388578 0.85 ALOX5AP (0.52) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
SCHEMBL9391734 0.84 ALOX5AP (0.51) ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL9388576 0.83 ALOX5AP (0.39) ALOX5APALOX5CYP3A4CYP2C9
SCHEMBL9387682 0.82 ALOX5AP (0.52) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
SCHEMBL9520741 0.81 ALOX5AP (0.52) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
SCHEMBL129184 0.80 ALOX5AP (0.43) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994012179-A1 INDOLE CARBOXYLATE DERIVATIVES WHICH INHIBIT LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1994-06-09 WO claimed
WO-1994012179-A1 INDOLE CARBOXYLATE DERIVATIVES WHICH INHIBIT LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1994-06-09 WO disclosed