SCHEMBL7302885

SCHEMBL7302885

N#Cc1ccc(CCC(=O)Nc2ccc(OCC(=O)O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
KMT2A Q03164 2/20 0.56
PSMB5 P28074 1/20 0.55
MAPT P10636 5/20 0.52
MAPK1 P28482 2/20 0.52
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ABCB1 P08183 1/20 0.51
HPGD P15428 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.51
POLB P06746 3/20 0.50
JAK2 O60674 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
FNTA P49354 1/20 0.48
FNTB P49356 1/20 0.48
SAE1 Q9UBE0 1/20 0.48
UBA2 Q9UBT2 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL9261433 0.88 PSMB5 (0.56) GAAKMT2APSMB5MAPTALDH1A1
SCHEMBL9268429 0.88 PSMB5 (0.56) GAAKMT2APSMB5MAPTALDH1A1
SCHEMBL7393093 0.85 AKR1B1 (0.55) KMT2AMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL7326381 0.81 ALDH1A1 (0.58) GAAKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL7297922 0.81 ITGB3 (0.54) KMT2AMAPTMAPK1ALDH1A1MEN1
SCHEMBL7292044 0.81 HDAC1 (0.51) KMT2AMAPTMAPK1ALDH1A1MEN1
SCHEMBL7293128 0.81 ITGB3 (0.54) KMT2AMAPTMAPK1ALDH1A1MEN1
SCHEMBL1252411 0.79 FFAR1 (0.65) GAAKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL2346349 0.78 FFAR1 (0.62) GAAKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL3858000 0.77 CNR1 (0.63) GAAMAPTALDH1A1SMN1; SMN2POLB

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-0381033-B1 Carboxylic-acid and sulphonic-acid amides HOFFMANN LA ROCHE (CH) 1994-03-23 EP disclosed
EP-0381033-A1 Carboxylic-acid and sulphonic-acid amides F. HOFFMANN-LA ROCHE AG (CH) 1990-08-08 EP disclosed