SCHEMBL8457630

SCHEMBL8457630

CC1=Cc2c(C)c(C(=O)C3C(=O)CCCC3=O)cc(C)c2OS1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.33
SPR P35270 1/20 0.30

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
SCHEMBL8453260 0.89
SCHEMBL8315792 0.70
SCHEMBL8558756 0.64 SPR (0.36) SPR
SCHEMBL6768806 0.63 SPR (0.48) HPDSPR
SCHEMBL10192391 0.63 HPD (0.44) HPD
SCHEMBL1270526 0.62
SCHEMBL8157349 0.62
SCHEMBL10191381 0.62 NPC1 (0.45)
SCHEMBL8559620 0.62 SPR (0.33) HPDSPR
SCHEMBL8558743 0.61 SPR (0.42) SPR

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-0901485-A1 1,2-BENZOXATHIIN AND THIEPIN 2,2-DIOXIDE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-03-17 EP disclosed
WO-1997042185-A1 1,2-BENZOXATHIIN AND THIEPIN 2,2-DIOXIDE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-11-13 WO disclosed