SCHEMBL9866050

SCHEMBL9866050

O=C(CCNC(=O)OCc1ccccc1)Nc1cccc(C(=O)NCCC(=O)OCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SENP1 Q9P0U3 2/20 0.51
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
MGLL Q99685 1/20 0.48
CACNA1H O95180 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
KDM1A O60341 1/20 0.47
MAOA P21397 1/20 0.47
KDM1B Q8NB78 1/20 0.47
RCOR1 Q9UKL0 1/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL9865134 0.95 HTT (0.53) GAAKMT2AMEN1L3MBTL1SENP1
SCHEMBL9335791 0.94 HTT (0.49) GAAKMT2AMEN1L3MBTL1SENP1
SCHEMBL9867129 0.93 HDAC6 (0.49) GAAKMT2AMEN1L3MBTL1SENP1
SCHEMBL10444691 0.93 HDAC6 (0.49) GAAKMT2AMEN1L3MBTL1SENP1
SCHEMBL9867345 0.88 NAMPT (0.52) SENP1ALDH1A1HPGDHTTKDM1A
SCHEMBL9865584 0.86 NAMPT (0.60) ALDH1A1HPGDHTTKDM1AMAOA
SCHEMBL9339394 0.84 CA1 (0.51) GAAL3MBTL1SENP1MAPTPOLB
SCHEMBL7906614 0.84 SENP1 (0.46) GAAKMT2AMEN1SENP1MAPT
SCHEMBL9335874 0.83 PRMT5 (0.51) GAAKMT2AMEN1RAB9AMGLL
SCHEMBL27373249 0.83 MGLL (0.60) RAB9AMGLLHTTKDM1AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5039805-A Novel benzoic and phenylacetic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1991-08-13 US disclosed