SCHEMBL7640183

SCHEMBL7640183

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.40
▸ CTSK P43235 4/20 0.37
▸ CTSL P07711 3/20 0.37
▸ CTSS P25774 3/20 0.37
▸ KIF11 P52732 3/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.36
▸ PLAU P00749 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ PRSS2 P07478 1/20 0.35
▸ PRSS3 P35030 1/20 0.35
▸ TPSAB1 Q15661 1/20 0.35
▸ ELANE P08246 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL7639360 0.90 ATM (0.42) ATMCTSKCTSLCTSSKIF11
SCHEMBL6419860 0.84 ATM (0.47) ATMCTSKCTSLCTSSKIF11
SCHEMBL6419749 0.73 KIF11 (0.47) KIF11
SCHEMBL6419865 0.72 ATM (0.47) ATMCTSKCTSLCTSSKIF11
SCHEMBL10425602 0.67 ATM (0.62) ATMCTSKCTSLCTSSCA1
SCHEMBL6422502 0.66 CTSK (0.49) ATMCTSKCTSLCTSSPRSS1
SCHEMBL5898328 0.66 ATM (0.60) ATMCTSKCTSLCTSSCA1
SCHEMBL14878516 0.66 ATM (0.50) ATMCTSKCTSLCTSSCA1
SCHEMBL7640180 0.66 MEN1 (0.42) ATMCTSKCTSLCTSSCA1
SCHEMBL15841403 0.65 KIF11 (0.43) ATMKIF11TP53

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
Send feedback