SCHEMBL16670442

SCHEMBL16670442

CC(C)C(O)(c1ccc(Cl)cc1)c1cncnc1.COP(=S)(OC)SCCSC(C)C

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.40
▸ CYP17A1 P05093 3/20 0.40
▸ CYP19A1 P11511 14/20 0.38
▸ CYP3A5 P20815 2/20 0.33

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
SCHEMBL125811 0.77 CYP19A1 (0.61) CYP3A4CYP17A1CYP19A1CYP3A5
SCHEMBL5971282 0.67 ALDH1A1 (0.36) CYP3A4
SCHEMBL15686089 0.65 CYP19A1 (0.62) CYP3A4CYP17A1CYP19A1
SCHEMBL11679528 0.63 CYP19A1 (0.63) CYP3A4CYP17A1CYP19A1CYP3A5
SCHEMBL11628668 0.63 CYP19A1 (0.64) CYP3A4CYP17A1CYP19A1CYP3A5
SCHEMBL69378 0.61 CYP3A4 (0.42) CYP3A4CYP17A1CYP19A1CYP3A5
SCHEMBL14234750 0.61 CYP19A1 (0.38) CYP3A4CYP17A1CYP19A1
SCHEMBL7189416 0.61 CYP3A4 (0.42) CYP3A4CYP17A1CYP19A1CYP3A5
SCHEMBL17172163 0.61 CYP19A1 (0.42) CYP3A4CYP17A1CYP19A1CYP3A5
SCHEMBL11095244 0.60 CYP19A1 (0.50) CYP3A4CYP17A1CYP19A1CYP3A5

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-3060043-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS Dow AgroSciences, LLC (US) 2016-08-31 — — EP claimed
WO-2015061155-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2015-04-30 — — WO claimed
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