SCHEMBL27705669

SCHEMBL27705669

CC(C(N)=O)c1cccc(-c2ncco2)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 14/20 0.43
PSEN2 P49810 14/20 0.43
APH1B Q8WW43 14/20 0.43
NCSTN Q92542 14/20 0.43
APH1A Q96BI3 14/20 0.43
PSENEN Q9NZ42 14/20 0.43
CTSA P10619 1/20 0.41
AURKA O14965 1/20 0.40
HPGDS O60760 1/20 0.39
BRD4 O60885 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
SCHEMBL4260357 1.00 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1885410 0.88 PTGS1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14209412 0.81 HPGDS (0.46) CTSAHPGDSBRD4
SCHEMBL1889856 0.76 MAPT (0.46) AURKA
SCHEMBL1889859 0.76 MAPT (0.46) AURKA
SCHEMBL4266768 0.76 KEAP1 (0.51)
SCHEMBL27705864 0.76 KEAP1 (0.51)
SCHEMBL6573037 0.76 PRKCI (0.50) HPGDS
SCHEMBL1879819 0.75 HPGDS (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30353435 0.75 RXRA (0.54) PSEN1PSEN2APH1BNCSTNAPH1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101184726-B 2-arylpropionic acid derivatives and pharmaceutical compositions containing them DOMPE PHA R MA SPA RES & MFG 2012-05-30 CN claimed
CN-101184726-A 2-arylpropionic acid derivatives and pharmaceutical compositions containing them DOMPE PHA R MA SPA RES & MFG (IT) 2008-05-21 CN claimed
CN-101184726-B 2-arylpropionic acid derivatives and pharmaceutical compositions containing them DOMPE PHA R MA SPA RES & MFG 2012-05-30 CN disclosed
CN-101184726-A 2-arylpropionic acid derivatives and pharmaceutical compositions containing them DOMPE PHA R MA SPA RES & MFG (IT) 2008-05-21 CN disclosed