SCHEMBL4754990

SCHEMBL4754990

COc1cc(C=CC(=O)NCCCNC(=O)C=Cc2ccco2)ccc1O

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.77
▸ MAPT P10636 1/20 0.77
▸ TYR P14679 2/20 0.73
▸ KMT2A Q03164 2/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ ACHE P22303 1/20 0.60
▸ POLB P06746 1/20 0.59
▸ CAPN1 P07384 1/20 0.58
▸ CTSB P07858 1/20 0.58
▸ TRPV1 Q8NER1 1/20 0.58

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
SCHEMBL4754988 1.00 APP (0.77) APPMAPTTYRKMT2AMEN1
SCHEMBL3220811 0.87 APP (1.00) APPMAPTTYRKMT2AMEN1
SCHEMBL3220795 0.87 APP (1.00) APPMAPTTYRKMT2AMEN1
Terrestribisamide SCHEMBL30382198 0.85 TYR (1.00) APPMAPTTYRKMT2AMEN1
Terrestribisamide SCHEMBL10735557 0.85 TYR (1.00) APPMAPTTYRKMT2AMEN1
Terrestribisamide SCHEMBL31278144 0.85 TYR (1.00) APPMAPTTYRKMT2AMEN1
SCHEMBL31297163 0.83 TYR (0.90) APPMAPTTYRKMT2AMEN1
SCHEMBL29664123 0.83 TYR (0.90) APPMAPTTYRKMT2AMEN1
SCHEMBL4789948 0.80 POLB (0.81) MAPTKMT2AMEN1POLB
SCHEMBL4789949 0.80 POLB (0.81) MAPTKMT2AMEN1POLB

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
WO-2008118626-A9 INHIBITORS OF JNK AND METHODS FOR IDENTIFYING INHIBITORS OF JNK BURNHAM INST MEDICAL RESEARCH (US) 2008-12-18 — — WO disclosed
WO-2008118626-A2 INHIBITORS OF JNK AND METHODS FOR IDENTIFYING INHIBITORS OF JNK BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2008-10-02 — — WO disclosed
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