SCHEMBL8972415

SCHEMBL8972415

C=C[C@H]1CO[C@H]([C@H]2CC[C@H](c3ccc(F)c(F)c3)CC2)OC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
USP5 P45974 2/20 0.33
HDAC6 Q9UBN7 1/20 0.33
SCD5 Q86SK9 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 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
SCHEMBL8972418 1.00 USP5 (0.33) USP5HDAC6SCD5HTR2AHTR2C
SCHEMBL8972410 1.00 USP5 (0.33) USP5HDAC6SCD5HTR2AHTR2C
SCHEMBL9135264 0.91 USP5 (0.32) USP5HDAC6
SCHEMBL8034760 0.91 USP5 (0.32) USP5HDAC6
SCHEMBL8034756 0.91 USP5 (0.32) USP5HDAC6
SCHEMBL12975977 0.87 USP5 (0.32) USP5HDAC6SCD5
SCHEMBL8433761 0.85 CYP11B1 (0.34)
SCHEMBL8433759 0.85 CYP11B1 (0.34)
SCHEMBL8433763 0.85 CYP11B1 (0.34)
SCHEMBL8433760 0.85 CYP11B1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0433836-B1 Halophenyl substituted dioxanes HOFFMANN LA ROCHE (CH) 1996-03-27 EP 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