SCHEMBL9304834

SCHEMBL9304834

CCOC(=O)C(C)(C)Cc1c(SC(C)(C)C)c2cc(OCc3cccnc3)ccc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 20/20 0.83
ALOX5 P09917 8/20 0.83
CYP2C9 P11712 4/20 0.66
CYP3A4 P08684 3/20 0.66
CYP2D6 P10635 2/20 0.62

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
SCHEMBL9303684 0.91 ALOX5AP (1.00) ALOX5APALOX5CYP2C9CYP3A4CYP2D6
SCHEMBL169604 0.84 PTGES2 (0.67) ALOX5APALOX5CYP2C9CYP3A4
SCHEMBL30181651 0.84 PTGES2 (0.67) ALOX5APALOX5CYP2C9CYP3A4
SCHEMBL1192956 0.84 ALOX5AP (0.81) ALOX5APALOX5CYP2C9CYP3A4CYP2D6
SCHEMBL9150053 0.83 ALOX5AP (0.84) ALOX5APALOX5CYP2C9CYP3A4CYP2D6
SCHEMBL9254050 0.83 ALOX5AP (0.63) ALOX5APALOX5CYP2C9CYP3A4CYP2D6
SCHEMBL1193638 0.83 ALOX5AP (0.63) ALOX5APALOX5CYP2C9CYP3A4
SCHEMBL3474765 0.82 ALOX5AP (0.74) ALOX5APALOX5CYP2C9CYP3A4CYP2D6
SCHEMBL167199 0.82 PTGES2 (0.66) ALOX5APALOX5CYP2C9CYP3A4
SCHEMBL9178373 0.82 ALOX5AP (0.86) ALOX5APALOX5CYP2C9CYP3A4CYP2D6

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