SCHEMBL5983797

SCHEMBL5983797

O=C(O)CN(CC(=O)O)c1ccccc1.O=C(O)CNCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
ABAT P80404 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
NPSR1 Q6W5P4 2/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NOX1 Q9Y5S8 1/20 0.39
ALDH1A1 P00352 4/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
GLA P06280 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KEAP1 Q14145 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL202173 0.88 TDP1 (0.50) TDP1NPSR1KMT2AMEN1NPC1
SCHEMBL547806 0.82 TDP1 (0.43) TDP1NPSR1KMT2AMEN1NPC1
SCHEMBL9230928 0.81 TSHR (0.44) NPSR1NPC1RAB9AALDH1A1HTT
SCHEMBL547411 0.79 TDP1 (0.47) TDP1NPSR1KMT2AMEN1NPC1
SCHEMBL11729646 0.79 TDP1 (0.47) TDP1NPSR1KMT2AMEN1NPC1
SCHEMBL8038936 0.79 TDP1 (0.44) TDP1KMT2AMEN1NPC1RAB9A
SCHEMBL13644987 0.78 TDP1 (0.47) TDP1CA1CA2NPSR1KMT2A
SCHEMBL889852 0.78 MEN1 (0.51) CA1CA2KMT2AMEN1NPC1
SCHEMBL3841166 0.78 TDP1 (0.44) TDP1KMT2AMEN1NPC1RAB9A
SCHEMBL13645030 0.78 OPRM1 (0.44) TDP1CA1CA2KMT2AMEN1

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
US-7144693-B2 Photothermographic material FUJIFILM CORPORATION (JP) 2006-12-05 US disclosed
US-20060068344-A1 Photothermographic material FUJI PHOTO FILM CO., LTD. 2006-03-30 US disclosed