SCHEMBL8399656

SCHEMBL8399656

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)C(C)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.44
KCNH2 Q12809 1/20 0.44
CA4 P22748 1/20 0.43
LTA4H P09960 1/20 0.42
KMT2A Q03164 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ACP3 P15309 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TRPA1 O75762 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
SCHEMBL6039133 0.88 KIF11 (0.46) KIF11KCNH2CA4LTA4HCES2
SCHEMBL10173286 0.82 CA4 (0.50) KIF11KCNH2CA4LTA4HKMT2A
SCHEMBL10179183 0.82 CA4 (0.50) KIF11KCNH2CA4LTA4HKMT2A
SCHEMBL27757625 0.81 KIF11 (0.52) KIF11KCNH2LTA4HALDH1A1
SCHEMBL8404585 0.81 KIF11 (0.41) KIF11KCNH2CA4LTA4HKMT2A
SCHEMBL15517407 0.80 KIF11 (0.56) KIF11KCNH2CA4LTA4HKMT2A
SCHEMBL8399775 0.80 CASR (0.48) KIF11KCNH2KMT2AL3MBTL1
SCHEMBL8399786 0.80 KIF11 (0.43) KIF11KCNH2CA4LTA4HKMT2A
SCHEMBL8400095 0.79 KIF11 (0.45) KIF11KCNH2ALDH1A1ACP3
SCHEMBL8457734 0.78 KIF11 (0.54) KIF11KCNH2KMT2ACES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6008398-A Non-nucleotide phosphorus ester oligomers GENZYME CORPORATION (US) 1999-12-28 US disclosed
US-5919965-A Non-nucleotide phosphorus ester oligomers GENZYME CORPORATION (US) 1999-07-06 US disclosed
EP-0880532-A4 NON-NUCLEOTIDE PHOSPHOROUS ESTER OLIGOMERS PHARMAGENICS INC (US) 1999-06-09 EP disclosed
EP-0880532-A1 NON-NUCLEOTIDE PHOSPHOROUS ESTER OLIGOMERS PHARMAGENICS, INC. (US) 1998-12-02 EP disclosed
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-A9 NON-NUCLEOTIDE PHOSPHORUS ESTER OLIGOMERS 1996-10-03 WO disclosed
WO-1996022297-A1 NON-NUCLEOTIDE PHOSPHORUS ESTER OLIGOMERS PHARMAGENICS, INC. (US) 1996-07-25 WO disclosed