SCHEMBL9522072

SCHEMBL9522072

CC(C)(C=O)Cc1[nH]c2ccccc2c1Cc1cc(OCc2ccc3ccccc3n2)c(Cl)c(SC(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 14/20 0.41
ALOX5 P09917 4/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
GPBAR1 Q8TDU6 2/20 0.33
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL9522242 0.92 ALOX5AP (0.39) ALOX5APALOX5CYP3A4CYP2D6CYP2C9
SCHEMBL9521164 0.76 ALOX5AP (0.50) ALOX5APALOX5CYP3A4CYP2D6CYP2C9
SCHEMBL2107856 0.66 ALOX5AP (0.60) ALOX5APALOX5CYP3A4CYP2D6CYP2C9
SCHEMBL1811551 0.65 ALOX5AP (0.60) ALOX5APALOX5CYP3A4CYP2D6CYP2C9
SCHEMBL9212984 0.65 ALOX5AP (0.51) ALOX5APALOX5CYP3A4CYP2D6CYP2C9
SCHEMBL9522220 0.65 ALOX5AP (0.49) ALOX5APALOX5CYP3A4CYP2D6CYP2C9
SCHEMBL9186846 0.64 ALOX5AP (0.80) ALOX5APALOX5CYP3A4CYP2D6CYP2C9
SCHEMBL9520741 0.64 ALOX5AP (0.52) ALOX5APALOX5CYP3A4CYP2D6CYP2C9
SCHEMBL9529057 0.61 PDE10A (0.48) ALOX5APALOX5CYP3A4CYP2D6CYP2C9
SCHEMBL7141077 0.61 ALOX5AP (0.48) ALOX5APALOX5CYP3A4CYP2D6CYP2C9

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
EP-0544819-A4 INDOLE DERIVATIVES WHICH INHIBIT LEUKOTRIENE BIOSYNTHESIS 1993-10-20 EP claimed
EP-0544819-A1 INDOLE DERIVATIVES WHICH INHIBIT LEUKOTRIENE BIOSYNTHESIS. ABBOTT LAB (US) 1993-06-09 EP claimed