SCHEMBL6419856

SCHEMBL6419856

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ HTT P42858 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ ITGB3 P05106 1/20 0.40
▸ ITGA2B P08514 1/20 0.40

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
SCHEMBL7639356 0.96 MEN1 (0.44) MEN1KMT2AL3MBTL1HTTMAPT
SCHEMBL7640180 0.96 MEN1 (0.42) MEN1KMT2AL3MBTL1HTTMAPT
SCHEMBL889833 0.85 KMT2A (0.46) MEN1KMT2AALDH1A1
SCHEMBL3423921 0.85 KMT2A (0.46) MEN1KMT2AALDH1A1
SCHEMBL7616339 0.84 MEN1 (0.44) MEN1KMT2AL3MBTL1HTTMAPT
SCHEMBL890354 0.83 ALDH1A1 (0.46) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL25598334 0.83 ALDH1A1 (0.46) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL16472145 0.82 ALDH1A1 (0.46) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL14847398 0.82 ALDH1A1 (0.46) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL20149858 0.82 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165569-B1 BORONIC ACID CONTAINING REAGENTS AND OLIGONUCLEOTIDES AGILENT TECHNOLOGIES INC (US) 2005-08-10 — — EP disclosed
US-6031117-A Boronic acid containing phosphoramidite reagents PROLINX INCORPORATED (US) 2000-02-29 — — US disclosed
US-6013783-A Boronic acid containing oligonucleotides and polynucleotides PROLINX INCORPORATED (US) 2000-01-11 — — US disclosed
Send feedback