SCHEMBL7616339

SCHEMBL7616339

COc1ccc(C(OC[C@@H](CO)NC(=O)CCNC(=O)OCc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ ATM Q13315 1/20 0.43
▸ CTSL P07711 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ KIF11 P52732 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL7619959 0.88 MEN1 (0.37) MEN1KMT2AL3MBTL1ATMCTSL
SCHEMBL13032794 0.86 HDAC6 (0.47) L3MBTL1ATMHTTMAPTHDAC8
SCHEMBL7639356 0.85 MEN1 (0.44) MEN1KMT2AL3MBTL1ATMCTSL
SCHEMBL25631518 0.85 KMT2A (0.45) KMT2AL3MBTL1
SCHEMBL6419856 0.84 MEN1 (0.44) MEN1KMT2AL3MBTL1ATMCTSL
SCHEMBL7615687 0.82 KIF11 (0.45) KMT2ANPC1RAB9AGAAKIF11
SCHEMBL7640180 0.81 MEN1 (0.42) MEN1KMT2AL3MBTL1ATMCTSL
SCHEMBL6516358 0.78 HDAC1 (0.46) KMT2ASMN1; SMN2NPC1RAB9AGAA
SCHEMBL6418194 0.77 HTT (0.42) MEN1KMT2AL3MBTL1ATMCTSL
SCHEMBL29450730 0.77 LMNA (0.62) KMT2AL3MBTL1ATMCTSLCTSS

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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