SCHEMBL9303659

SCHEMBL9303659

CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3cccs3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 20/20 1.00
ALOX5 P09917 9/20 0.76
CYP3A4 P08684 2/20 0.73
CYP2C9 P11712 2/20 0.73
CYP2D6 P10635 1/20 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
SCHEMBL9303987 0.88 ALOX5AP (0.79) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
SCHEMBL9303871 0.86 ALOX5AP (1.00) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
SCHEMBL9305011 0.85 ALOX5AP (1.00) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
SCHEMBL9305053 0.84 ALOX5AP (1.00) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
SCHEMBL30181605 0.84 ALOX5AP (0.79) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
SCHEMBL9146239 0.84 ALOX5AP (0.79) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
SCHEMBL9316128 0.84 ALOX5AP (1.00) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
SCHEMBL9305688 0.83 ALOX5AP (1.00) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
SCHEMBL9303684 0.83 ALOX5AP (1.00) ALOX5APALOX5CYP3A4CYP2C9CYP2D6
SCHEMBL9305251 0.83 ALOX5AP (1.00) 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-5288743-A Lipoxygenase inhibitors ABBOTT LABORATORIES (US) 1994-02-22 US disclosed