SCHEMBL7640180

SCHEMBL7640180

COc1ccc(C(OCC(O)CNC(=O)CCN)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OCC(O)CNC(=O)CCNC(=O)OCc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MAPT P10636 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ TAAR1 Q96RJ0 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
SCHEMBL6419856 0.96 MEN1 (0.44) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL7639356 0.93 MEN1 (0.44) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL890354 0.88 ALDH1A1 (0.46) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL3423921 0.82 KMT2A (0.46) MEN1KMT2AALDH1A1
SCHEMBL889833 0.82 KMT2A (0.46) MEN1KMT2AALDH1A1
SCHEMBL8842993 0.82 MMP2 (0.46) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL7616339 0.81 MEN1 (0.44) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL25598334 0.80 ALDH1A1 (0.46) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL16472145 0.79 ALDH1A1 (0.46) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL20149858 0.79 ALDH1A1 (0.46) MEN1KMT2AMAPTGAAALDH1A1

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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