SCHEMBL8649449

SCHEMBL8649449

O=C(O)[C@H]1O[C@@](O)(Br)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IDUA P35475 2/20 0.33
SUCNR1 Q9BXA5 1/20 0.33
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL23247975 0.77 IDUA (0.38) IDUASUCNR1KDM4EALDH1A1
SCHEMBL9507606 0.77 IDUA (0.38) IDUASUCNR1KDM4EALDH1A1
SCHEMBL29740164 0.75 IDUA (0.33) IDUASUCNR1KDM4EALDH1A1
SCHEMBL2527500 0.75 IDUA (0.33) IDUASUCNR1KDM4EALDH1A1
SCHEMBL13858344 0.75 IDUA (0.33) IDUASUCNR1KDM4EALDH1A1
Ammonia Solution, Strong SCHEMBL3127699 0.73 IDUA (0.40) IDUASUCNR1KDM4EALDH1A1
SCHEMBL16750226 0.72 SUCNR1 (0.35) IDUASUCNR1KDM4EALDH1A1
SCHEMBL9092772 0.71 SUCNR1 (0.38) IDUASUCNR1KDM4EALDH1A1
SCHEMBL5668702 0.71
SCHEMBL6248570 0.71 IDUA (0.31) IDUASUCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5808111-A Stable acitretinoid compounds THE OHIO STATE RESEARCH FOUNDATION (US) 1998-09-15 US disclosed