SCHEMBL7457780

SCHEMBL7457780

O=C1NC(Cc2ccccc2)C(=O)N1COS

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
POLB P06746 1/20 0.55
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
PLA2G10 O15496 1/20 0.50
PLA2G5 P39877 1/20 0.50
ALOX15 P16050 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 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
SCHEMBL11270312 0.81 GAA (0.74) GAAPOLBHDAC1HDAC6PLA2G10
SCHEMBL13687172 0.80 GAA (0.59) GAAPOLBHDAC1HDAC6PLA2G10
SCHEMBL5181865 0.77 GAA (0.56) GAAPOLBHDAC1HDAC6PLA2G10
SCHEMBL8728068 0.76 GAA (0.55) GAAPOLBHDAC1HDAC6PLA2G10
SCHEMBL8726366 0.75 PLA2G10 (0.56) GAAPOLBHDAC1HDAC6PLA2G10
SCHEMBL20516432 0.74 GAA (0.49) GAAPOLBHDAC1HDAC6PLA2G10
SCHEMBL20516433 0.74 GAA (0.49) GAAPOLBHDAC1HDAC6PLA2G10
SCHEMBL13879515 0.74 HDAC1 (0.69) GAAPOLBHDAC1HDAC6PLA2G10
SCHEMBL6641053 0.74 GAA (0.63) GAAPOLBHDAC1HDAC6PLA2G10
SCHEMBL11484748 0.72 GAA (0.51) GAAPOLBHDAC1HDAC6PLA2G10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0718290-B1 Carboxyalkyl heterocyclic derivatives NIPPON ZOKI PHARMACEUTICAL CO (JP) 2002-04-17 EP disclosed
US-5912261-A ANTIDIABETIC AGENTS NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1999-06-15 US disclosed
EP-0718290-A1 Carboxyalkyl heterocyclic derivatives NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1996-06-26 EP disclosed