SCHEMBL7828620

SCHEMBL7828620

CCC(=O)Nc1ccc(NC(=O)CCCC(=O)O)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
POLB P06746 2/20 0.70
GAA P10253 3/20 0.64
L3MBTL1 Q9Y468 3/20 0.64
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
MAPT P10636 2/20 0.62
NPSR1 Q6W5P4 1/20 0.59
HSD17B10 Q99714 1/20 0.59
CYP1A1 P04798 1/20 0.56
HPGD P15428 2/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ATM Q13315 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
TP53 P04637 1/20 0.53

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
SCHEMBL7107371 0.91 POLB (0.82) ALDH1A1POLBGAAL3MBTL1MEN1
SCHEMBL7824236 0.86 HDAC3 (0.71) ALDH1A1POLBGAAL3MBTL1MEN1
SCHEMBL24040103 0.86 POLB (0.70) ALDH1A1POLBGAAL3MBTL1MEN1
SCHEMBL7825018 0.86 POLB (0.70) ALDH1A1POLBGAAL3MBTL1MEN1
SCHEMBL3152473 0.84 CYP1A1 (0.79) ALDH1A1POLBGAAL3MBTL1MEN1
SCHEMBL3806017 0.83 MEN1 (0.73) ALDH1A1POLBGAAL3MBTL1MEN1
SCHEMBL7566026 0.83 ALDH1A1 (0.66) ALDH1A1POLBGAAL3MBTL1MEN1
SCHEMBL13989319 0.82 GAA (0.73) ALDH1A1POLBGAAMEN1KMT2A
SCHEMBL7824643 0.82 GAA (0.77) ALDH1A1POLBGAAL3MBTL1MEN1
SCHEMBL4084296 0.82 POLB (0.66) ALDH1A1POLBGAAL3MBTL1HPGD

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-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed