SCHEMBL6419865

SCHEMBL6419865

COC(=O)[C@@H](NC(=O)OCc1ccccc1)C(OC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)C(=O)[C@H](C)N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.47
▸ KIF11 P52732 1/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ CTSL P07711 4/20 0.43
▸ CTSS P25774 4/20 0.43
▸ CTSK P43235 2/20 0.43
▸ TRPM8 Q7Z2W7 1/20 0.43
▸ CTSD P07339 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ CCR1 P32246 1/20 0.41
▸ PLAU P00749 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 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
SCHEMBL6420337 0.76 CTSL (0.54) ATMCA2CTSLCTSSCTSK
SCHEMBL21890679 0.74 TRPM8 (0.60) ATMCA1CA2CTSLCTSS
SCHEMBL20299924 0.74 TRPM8 (0.60) ATMCA1CA2CTSLCTSS
SCHEMBL31563025 0.73 ATM (0.61) ATMCA1CA2ACHECTSL
SCHEMBL7639360 0.73 ATM (0.42) ATMKIF11CA1CA2ACHE
SCHEMBL28892051 0.72 TRPM8 (0.62) ATMCA2CTSLCTSSCTSK
SCHEMBL10535601 0.72 TRPM8 (0.62) ATMCA2CTSLCTSSCTSK
SCHEMBL10535596 0.72 TRPM8 (0.62) ATMCA2CTSLCTSSCTSK
SCHEMBL6419860 0.72 ATM (0.47) ATMKIF11CA1CA2ACHE
SCHEMBL4245909 0.72 ATM (0.57) ATMCA1CA2ACHECTSL

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 5 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
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
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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