SCHEMBL9305628

SCHEMBL9305628

COC(=O)C(C)(C)Cc1c(SC(C)(C)C)c2cc(OCc3ccccn3)ccc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.87

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 20/20 0.87
CYP2C9 P11712 6/20 0.87
ALOX5 P09917 6/20 0.87
CYP3A4 P08684 5/20 0.87
CYP2D6 P10635 3/20 0.70

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
SCHEMBL9305053 0.93 ALOX5AP (1.00) ALOX5APCYP2C9ALOX5CYP3A4CYP2D6
SCHEMBL9178373 0.91 ALOX5AP (0.86) ALOX5APCYP2C9ALOX5CYP3A4CYP2D6
SCHEMBL9178524 0.90 ALOX5AP (0.71) ALOX5APCYP2C9ALOX5CYP3A4CYP2D6
SCHEMBL13887132 0.90 ALOX5AP (0.88) ALOX5APCYP2C9ALOX5CYP3A4CYP2D6
SCHEMBL169077 0.90 ALOX5AP (0.82) ALOX5APCYP2C9ALOX5CYP3A4CYP2D6
SCHEMBL25967880 0.89 ALOX5AP (0.82) ALOX5APCYP2C9ALOX5CYP3A4CYP2D6
SCHEMBL9185735 0.89 ALOX5AP (0.86) ALOX5APCYP2C9ALOX5CYP3A4CYP2D6
SCHEMBL13415378 0.88 ALOX5AP (0.90) ALOX5APCYP2C9CYP3A4CYP2D6
SCHEMBL1193621 0.88 ALOX5AP (0.91) ALOX5APCYP2C9ALOX5CYP3A4CYP2D6
SCHEMBL9315369 0.86 ALOX5AP (0.86) ALOX5APCYP2C9ALOX5CYP3A4CYP2D6

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