SCHEMBL8587190

SCHEMBL8587190

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)C[C@@H](O)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTR1A P08908 1/20 0.43
KIF11 P52732 9/20 0.43
FAAH O00519 1/20 0.43
KCNH2 Q12809 1/20 0.42
AOC3 Q16853 2/20 0.42
ACP3 P15309 1/20 0.42
SLC5A2 P31639 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL8403351 1.00 KDM4E (0.43) KDM4EGAASMN1; SMN2TDP1HTR1A
SCHEMBL3496480 0.81 KIF11 (0.54) SMN1; SMN2KIF11KCNH2LMNAKMT2A
SCHEMBL14937220 0.80 KIF11 (0.46) SMN1; SMN2KIF11KCNH2LMNAKMT2A
SCHEMBL8403280 0.79 KIF11 (0.48) SMN1; SMN2KIF11KCNH2LMNAKMT2A
SCHEMBL9559237 0.79 KIF11 (0.51) SMN1; SMN2KIF11KCNH2LMNAKMT2A
SCHEMBL10586379 0.78 KIF11 (0.54) SMN1; SMN2KIF11KCNH2
SCHEMBL29451221 0.78 SMN1; SMN2 (0.43) GAASMN1; SMN2KIF11LMNAKMT2A
SCHEMBL5065127 0.75 KIF11 (0.45) SMN1; SMN2KIF11KCNH2LMNAKMT2A
SCHEMBL8080069 0.75 KIF11 (0.51) KIF11KCNH2KMT2A
SCHEMBL8539261 0.75 AOC3 (0.50) KDM4EGAASMN1; SMN2TDP1HTR1A

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-0804443-A4 NON-NUCLEOTIDE PHOSPHORUS ESTER OLIGOMERS PHARMAGENICS INC (US) 1998-04-29 EP disclosed
EP-0804443-A1 NON-NUCLEOTIDE PHOSPHORUS ESTER OLIGOMERS PHARMAGENICS, INC. (US) 1997-11-05 EP disclosed
WO-1996022297-A1 NON-NUCLEOTIDE PHOSPHORUS ESTER OLIGOMERS PHARMAGENICS, INC. (US) 1996-07-25 WO disclosed