SCHEMBL8649488

SCHEMBL8649488

O=S(=O)(O)c1c(F)c(F)c(F)c(F)c1F.Sc1cccc(-c2ccc(OC3CCCCO3)cc2)c1-c1ccc(OC2CCCCO2)cc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TNK2 Q07912 3/20 0.31
HSD11B1 P28845 1/20 0.31
OXTR P30559 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
SCHEMBL8317959 0.88 OXTR (0.36) MEN1KMT2ATNK2HSD11B1OXTR
SCHEMBL8323062 0.85 OXTR (0.39) MEN1KMT2ATNK2HSD11B1OXTR
SCHEMBL24581535 0.82 TNK2 (0.37) MEN1KMT2ATNK2HSD11B1OXTR
SCHEMBL8649076 0.82 OXTR (0.34) MEN1KMT2AOXTR
SCHEMBL3132308 0.77 HDAC4 (0.41) MEN1KMT2A
SCHEMBL8083698 0.77 PPARG (0.34)
SCHEMBL8319162 0.77 HSD11B1 (0.38) HSD11B1
SCHEMBL24076209 0.76 TNK2 (0.33) MEN1KMT2ATNK2HSD11B1
SCHEMBL3136615 0.76 PTGS2 (0.39) HSD11B1
SCHEMBL23432775 0.75 TNK2 (0.37) MEN1KMT2ATNK2HSD11B1

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-5824824-A AROMATIC SULFONATE ANIONS AND DISSOLUTION CONTRAST IN EXPOSED AND NONEXPOSED AREAS, POSITIVE RESISTS SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-10-20 US disclosed