SCHEMBL9638244

SCHEMBL9638244

Cc1cc(SCO[PH](=O)O[PH](=O)O)cc(C)c1O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NPC1 O15118 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
MAPT P10636 1/20 0.31
XBP1 P17861 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL9637977 0.81 MAPT (0.42) MEN1KMT2AMAPTCA1CA2
SCHEMBL9652020 0.74 FFAR1 (0.40) MEN1KMT2ANPC1MAPT
SCHEMBL9638237 0.65 CA1 (0.34) MEN1KMT2ANPC1ESR1ESR2
SCHEMBL17285639 0.63 MEN1 (0.51) MEN1KMT2ANPC1ESR1ESR2
SCHEMBL11217664 0.61 ESR1 (0.49) MEN1KMT2ANPC1ESR1MAPT
SCHEMBL9193227 0.60 CA1 (0.41) MEN1KMT2ANPC1ESR1ESR2
SCHEMBL3650882 0.60 CA1 (0.41) MEN1KMT2ANPC1ESR1ESR2
SCHEMBL8573268 0.60 CA1 (0.41) MEN1KMT2ANPC1ESR1ESR2
SCHEMBL3902576 0.60 MEN1 (0.49) MEN1KMT2ANPC1
SCHEMBL14319853 0.60

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-5153183-A Antiarthritic agents TORAY INDUSTRIES, INC. (JP) 1992-10-06 US disclosed
EP-0440809-A1 METHYLENEDIPHOSPHONIC ACID COMPOUND AND ANTI-INFLAMMATORY CONTAINING THE SAME AS ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 1991-08-14 EP disclosed