SCHEMBL7615687

SCHEMBL7615687

COc1ccc(C(OC[C@@H](CO)NC(=O)CCN)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 9/20 0.45
▸ KCNH2 Q12809 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ GPR88 Q9GZN0 1/20 0.39
▸ SLC6A1 P30531 2/20 0.39
▸ SLC6A11 P48066 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
SCHEMBL4915642 0.82 GAA (0.41) KIF11GAAALDH1A1KMT2ACNR2
SCHEMBL7616339 0.82 MEN1 (0.44) KIF11GAAALDH1A1KMT2ANPC1
SCHEMBL6516358 0.82 HDAC1 (0.46) GAAALDH1A1KMT2ANPC1RAB9A
SCHEMBL890354 0.80 ALDH1A1 (0.46) KIF11KCNH2ALDH1A1KMT2A
SCHEMBL4915631 0.80 POLB (0.38) KIF11GAAALDH1A1KMT2ACNR2
SCHEMBL25631518 0.78 KMT2A (0.45) KMT2A
SCHEMBL14946793 0.77 KIF11 (0.41) KIF11KCNH2ALDH1A1SLC6A1SLC6A11
SCHEMBL5964225 0.77 GAA (0.43) KIF11KCNH2GAAALDH1A1KMT2A
SCHEMBL3839548 0.77 GAA (0.43) KIF11KCNH2GAAALDH1A1KMT2A
Succinic Acid SCHEMBL6854675 0.77 KIF11 (0.54) KIF11KCNH2NPC1RAB9ASLC6A1

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
EP-1165569-A1 BORONIC ACID CONTAINING REAGENTS AND OLIGONUCLEOTIDES Agilent Technologies, Inc. (US) 2002-01-02 — — EP disclosed
WO-2000056740-A1 BORONIC ACID CONTAINING REAGENTS AND OLIGONUCLEOTIDES PROLINX, INC. (US) 2000-09-28 — — WO disclosed
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