SCHEMBL6419860

SCHEMBL6419860

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.47
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ CTSK P43235 4/20 0.43
▸ CTSL P07711 3/20 0.43
▸ CTSS P25774 3/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CTSB P07858 1/20 0.40
▸ PLAU P00749 1/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ PRSS2 P07478 1/20 0.40
▸ PRSS3 P35030 1/20 0.40
▸ TPSAB1 Q15661 1/20 0.40
▸ ELANE P08246 1/20 0.39
▸ KIF11 P52732 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TSHR P16473 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
SCHEMBL7640183 0.84 ATM (0.40) ATMCA1CA2ACHECTSK
SCHEMBL7639360 0.82 ATM (0.42) ATMCA1CA2ACHECTSK
SCHEMBL6419749 0.81 KIF11 (0.47) KIF11
SCHEMBL6422502 0.79 CTSK (0.49) ATMCTSKCTSLCTSSCTSB
SCHEMBL10425602 0.73 ATM (0.62) ATMCA1CA2ACHECTSK
SCHEMBL5898328 0.73 ATM (0.60) ATMCA1CA2ACHECTSK
SCHEMBL14878516 0.72 ATM (0.50) ATMCA1CA2ACHECTSK
SCHEMBL6419865 0.72 ATM (0.47) ATMCA1CA2ACHECTSK
SCHEMBL15841403 0.71 KIF11 (0.43) ATMKIF11
SCHEMBL11816446 0.71 ATM (0.67) ATMCA1CA2ACHECTSK

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
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