SCHEMBL9857879

SCHEMBL9857879

CC(C)=C1CC(C)CC(=O)O1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
CRBN Q96SW2 1/20 0.34

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
SCHEMBL287040 0.78
Ethane SCHEMBL4627940 0.76 SMN1; SMN2 (0.46) SMN1; SMN2CRBN
SCHEMBL9857714 0.74 KDM4E (0.31)
SCHEMBL919138 0.71 SMN1; SMN2 (0.60) SMN1; SMN2
SCHEMBL1603875 0.71
SCHEMBL9857770 0.69 CTRB1 (0.54)
SCHEMBL19285856 0.68
SCHEMBL12595244 0.68
SCHEMBL14648600 0.67 CRBN (0.40) SMN1; SMN2CRBN
SCHEMBL10951855 0.67

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
US-5072023-A Reacting lactone with ester anion to form cyclohexenone ester; oxidizing or dehydrogenating the intermediate E. R. SQUIBB & SONS, INC. (US) 1991-12-10 US disclosed
EP-0442495-A1 Process for preparing highly substituted phenyls E.R. SQUIBB & SONS, INC. (US) 1991-08-21 EP disclosed