SCHEMBL9562390

SCHEMBL9562390

C=C(CC(=O)O)c1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.58
NR4A2 P43354 1/20 0.58
NR4A3 Q92570 1/20 0.58
MMP3 P08254 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
PTPN1 P18031 1/20 0.51
CDC25B P30305 1/20 0.51
PLK1 P53350 1/20 0.51
HPGD P15428 4/20 0.50
ALDH1A1 P00352 3/20 0.50
NR1H4 Q96RI1 1/20 0.50
PTK2B Q14289 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 3/20 0.49
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
DEGS1 O15121 1/20 0.45
GMNN O75496 1/20 0.45

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
SCHEMBL11497772 0.84 NR4A1 (0.56) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL3371176 0.81 PTPN1 (0.65) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL20398171 0.77 L3MBTL1 (0.52) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL28547802 0.76 KDM4E (0.50) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL11709260 0.76 PTPN1 (0.57) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL2098307 0.76 PTK2B (0.50) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL35405 0.76 NR4A1 (0.64) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL10581635 0.76 PTK2B (0.50) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL13963143 0.76 PTPN1 (0.61) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL9385109 0.76 PTK2B (0.50) NR4A1NR4A2NR4A3MMP3HDAC8

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
JP-5155847-A None JP disclosed