SCHEMBL6600976

SCHEMBL6600976

[CH2]C=C(C)c1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
PLK1 P53350 1/20 0.47
PTK2B Q14289 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MMP3 P08254 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
CDC25B P30305 2/20 0.43
PTPN1 P18031 1/20 0.43
DHFR P00374 1/20 0.42
KDR P35968 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
GMNN O75496 2/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41

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
SCHEMBL6600967 1.00 NR4A1 (0.48) NR4A1NR4A2NR4A3PLK1PTK2B
SCHEMBL6027698 0.83 NR4A1 (0.52) NR4A1NR4A2NR4A3PLK1PTK2B
SCHEMBL6027696 0.83 NR4A1 (0.52) NR4A1NR4A2NR4A3PLK1PTK2B
SCHEMBL1610127 0.78 PTK2B (0.52) NR4A1NR4A2NR4A3PLK1PTK2B
SCHEMBL9442849 0.77 NR4A1 (0.50) NR4A1NR4A2NR4A3PLK1L3MBTL1
SCHEMBL28947915 0.77 NR4A1 (0.46) NR4A1NR4A2NR4A3PLK1PTK2B
SCHEMBL11806980 0.77 NR4A1 (0.46) NR4A1NR4A2NR4A3PLK1MMP3
SCHEMBL20942886 0.77 NR4A1 (0.50) NR4A1NR4A2NR4A3PLK1PTK2B
SCHEMBL20942883 0.77 NR4A1 (0.50) NR4A1NR4A2NR4A3PLK1PTK2B
SCHEMBL29563474 0.77 PTK2B (0.55) NR4A1NR4A2NR4A3PLK1PTK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923569-B1 BUTYRIC ACID MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2004-11-17 EP disclosed
US-6020366-A Butyric acid matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2000-02-01 US disclosed
EP-0923569-A1 BUTYRIC ACID MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-06-23 EP disclosed
WO-1998006711-A1 BUTYRIC ACID MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1998-02-19 WO disclosed
EP-0498680-A1 New beta-amino-alpha-hydroxycarboxylic acids and their use Sankyo Company Limited (JP) 1992-08-12 EP disclosed