SCHEMBL8971634

SCHEMBL8971634

C/C=C/C1COC(C2CCC(c3ccc(F)c(F)c3)CC2)OC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
USP5 P45974 2/20 0.32
HDAC6 Q9UBN7 1/20 0.32
SCD5 Q86SK9 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
SCHEMBL8971628 1.00 USP5 (0.32) USP5HDAC6SCD5
SCHEMBL8971621 1.00 USP5 (0.32) USP5HDAC6SCD5
SCHEMBL9247082 1.00 USP5 (0.32) USP5HDAC6SCD5
SCHEMBL9247084 1.00 USP5 (0.32) USP5HDAC6SCD5
SCHEMBL8040816 0.99 USP5 (0.32) USP5HDAC6
SCHEMBL8025058 0.90 CYP17A1 (0.30)
SCHEMBL8025057 0.90 CYP17A1 (0.30)
SCHEMBL9136961 0.90 CYP17A1 (0.30)
SCHEMBL9136971 0.90 CYP17A1 (0.30)
SCHEMBL8025055 0.90 CYP17A1 (0.30)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7002832-A None JP disclosed
EP-0433836-B1 Halophenyl substituted dioxanes HOFFMANN LA ROCHE (CH) 1996-03-27 EP disclosed
JP-H072832-A HALOPHENYL SUBSTITUTED DIOXANE, ITS PREPARATION AND USE F HOFFMANN LA ROCHE AG 1995-01-06 JP disclosed
US-5322638-A Halophenyl substituted dioxanes HOFFMANN-LA ROCHE INC. (US) 1994-06-21 US disclosed
EP-0433836-A2 Halophenyl substituted dioxanes F. HOFFMANN-LA ROCHE AG (CH) 1991-06-26 EP disclosed